7-chloro-N-cycloheptylfuro[2,3-b]quinoline-2-carboxamide

C19H19ClN2O2 — CID 3618281

IUPAC7-chloro-N-cycloheptylfuro[2,3-b]quinoline-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc2cc3ccc(Cl)cc3nc2o1
InChIInChI=1S/C19H19ClN2O2/c20-14-8-7-12-9-13-10-17(24-19(13)22-16(12)11-14)18(23)21-15-5-3-1-2-4-6-15/h7-11,15H,1-6H2,(H,21,23)
InChIKeyDRRVKJVXWIXVSF-UHFFFAOYSA-N
MW342.83 g/mol
LogP5.09
Rot. Bonds2

About 7-chloro-N-cycloheptylfuro[2,3-b]quinoline-2-carboxamide

7-chloro-N-cycloheptylfuro[2,3-b]quinoline-2-carboxamide (PubChem CID 3618281) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 7-chloro-N-cycloheptylfuro[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-cycloheptylfuro[2,3-b]quinoline-2-carboxamide
PubChem CID3618281
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name7-chloro-N-cycloheptylfuro[2,3-b]quinoline-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc2cc3ccc(Cl)cc3nc2o1
InChIInChI=1S/C19H19ClN2O2/c20-14-8-7-12-9-13-10-17(24-19(13)22-16(12)11-14)18(23)21-15-5-3-1-2-4-6-15/h7-11,15H,1-6H2,(H,21,23)
InChIKeyDRRVKJVXWIXVSF-UHFFFAOYSA-N
XLogP5.09
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.83
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide
CID 71662787
7-chloro-N-cyclopentylquinoline-2-carboxamide
CID 110490278
ethyl 4-[(7-methylfuro[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 45106120
7-chloro-N-[(2S)-2-phenylpropyl]furo[2,3-b]quinoline-2-carboxamide
CID 92502311
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
5-chloro-N-cyclohexyl-2-hydrazinylbenzamide
CID 62237687
2,6-dichloro-N-cyclohexylpyridine-4-carboxamide
CID 26719449
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide
CID 112779921
5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
CID 19457491

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-cycloheptylfuro[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 7-chloro-N-cycloheptylfuro[2,3-b]quinoline-2-carboxamide (CID 3618281) is 7-chloro-N-cycloheptylfuro[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 7-chloro-N-cycloheptylfuro[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 7-chloro-N-cycloheptylfuro[2,3-b]quinoline-2-carboxamide is O=C(NC1CCCCCC1)c1cc2cc3ccc(Cl)cc3nc2o1.
What is the InChIKey of 7-chloro-N-cycloheptylfuro[2,3-b]quinoline-2-carboxamide?
The InChIKey is DRRVKJVXWIXVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-14-8-7-12-9-13-10-17(24-19(13)22-16(12)11-14)18(23)21-15-5-3-1-2-4-6-15/h7-11,15H,1-6H2,(H,21,23).
What are the key properties of 7-chloro-N-cycloheptylfuro[2,3-b]quinoline-2-carboxamide?
7-chloro-N-cycloheptylfuro[2,3-b]quinoline-2-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-cycloheptylfuro[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 3618281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).