8-chloro-2-(furan-2-yl)-N-(2-oxoazepan-3-yl)quinoline-4-carboxamide

C20H18ClN3O3 — CID 156607428

IUPAC8-chloro-2-(furan-2-yl)-N-(2-oxoazepan-3-yl)quinoline-4-carboxamide
SMILESO=C(NC1CCCCNC1=O)c1cc(-c2ccco2)nc2c(Cl)cccc12
InChIInChI=1S/C20H18ClN3O3/c21-14-6-3-5-12-13(11-16(23-18(12)14)17-8-4-10-27-17)19(25)24-15-7-1-2-9-22-20(15)26/h3-6,8,10-11,15H,1-2,7,9H2,(H,22,26)(H,24,25)
InChIKeyVVXCMARQWSJNSQ-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.55
Rot. Bonds3

About 8-chloro-2-(furan-2-yl)-N-(2-oxoazepan-3-yl)quinoline-4-carboxamide

8-chloro-2-(furan-2-yl)-N-(2-oxoazepan-3-yl)quinoline-4-carboxamide (PubChem CID 156607428) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 8-chloro-2-(furan-2-yl)-N-(2-oxoazepan-3-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name8-chloro-2-(furan-2-yl)-N-(2-oxoazepan-3-yl)quinoline-4-carboxamide
PubChem CID156607428
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name8-chloro-2-(furan-2-yl)-N-(2-oxoazepan-3-yl)quinoline-4-carboxamide
SMILESO=C(NC1CCCCNC1=O)c1cc(-c2ccco2)nc2c(Cl)cccc12
InChIInChI=1S/C20H18ClN3O3/c21-14-6-3-5-12-13(11-16(23-18(12)14)17-8-4-10-27-17)19(25)24-15-7-1-2-9-22-20(15)26/h3-6,8,10-11,15H,1-2,7,9H2,(H,22,26)(H,24,25)
InChIKeyVVXCMARQWSJNSQ-UHFFFAOYSA-N
XLogP3.55
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid
CID 3853520
2-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 47478270
8-chloro-2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide
CID 67206871
5-(furan-2-yl)-N-[(3R)-2-oxopiperidin-3-yl]-1,2-oxazole-3-carboxamide
CID 94363969
1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(3R)-2-oxoazepan-3-yl]pyrazole-5-carboxamide
CID 1053817
2-(4-methoxyphenyl)-N-[(3R)-2-oxoazepan-3-yl]quinoline-4-carboxamide
CID 94130731
N-(2-oxoazepan-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 55812409
[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-[8-chloro-2-(furan-2-yl)quinolin-4-yl]methanone
CID 133133594
8-chloro-2-(furan-2-yl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]quinoline-4-carboxamide
CID 97130383
N-[(3R)-2-oxopiperidin-3-yl]benzo[f]quinoline-5-carboxamide
CID 95272465
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
2-bromo-4-chloro-N-(2-oxoazepan-3-yl)benzamide
CID 113257291

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(furan-2-yl)-N-(2-oxoazepan-3-yl)quinoline-4-carboxamide?
The IUPAC name of 8-chloro-2-(furan-2-yl)-N-(2-oxoazepan-3-yl)quinoline-4-carboxamide (CID 156607428) is 8-chloro-2-(furan-2-yl)-N-(2-oxoazepan-3-yl)quinoline-4-carboxamide.
What is the SMILES notation for 8-chloro-2-(furan-2-yl)-N-(2-oxoazepan-3-yl)quinoline-4-carboxamide?
The canonical SMILES for 8-chloro-2-(furan-2-yl)-N-(2-oxoazepan-3-yl)quinoline-4-carboxamide is O=C(NC1CCCCNC1=O)c1cc(-c2ccco2)nc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-2-(furan-2-yl)-N-(2-oxoazepan-3-yl)quinoline-4-carboxamide?
The InChIKey is VVXCMARQWSJNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c21-14-6-3-5-12-13(11-16(23-18(12)14)17-8-4-10-27-17)19(25)24-15-7-1-2-9-22-20(15)26/h3-6,8,10-11,15H,1-2,7,9H2,(H,22,26)(H,24,25).
What are the key properties of 8-chloro-2-(furan-2-yl)-N-(2-oxoazepan-3-yl)quinoline-4-carboxamide?
8-chloro-2-(furan-2-yl)-N-(2-oxoazepan-3-yl)quinoline-4-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(furan-2-yl)-N-(2-oxoazepan-3-yl)quinoline-4-carboxamide is sourced from PubChem (CID 156607428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).