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1,4-dimethoxy-6H,7H,8H,9H,10H-cyclohepta[b]quinoline

1,4-dimethoxy-6H,7H,8H,9H,10H-cyclohepta[b]quinoline

CAS: 860786-95-4

Formula: C16H19NO2

SMILES: COC1=C2C=C3CCCCCC3=NC2=C(OC)C=C1

IUPAC: 1,4-dimethoxy-6H,7H,8H,9H,10H-cyclohepta[b]quinoline

InChI: InChI=1S/C16H19NO2/c1-18-14-8-9-15(19-2)16-12(14)10-11-6-4-3-5-7-13(11)17-16/h8-10H,3-7H2,1-2H3

Composition: C (74.68%), H (7.44%), N (5.44%), O (12.43%)

Molar Mass: 257.333

Atom Count: 38

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 257.141578856
Formal Charge 0
FSP3 0.44
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey MNOPJFWUWALKCM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.57
Topological Polar Surface Area 31.35
Polarizability 30.33
Ring Count 3
Rotatable Bond Count 2

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