2-chloro-N-[7-chloro-1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide

C21H16Cl2N2O3 — CID 134278832

IUPAC2-chloro-N-[7-chloro-1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2ccco2)c2cc(Cl)ccc21)c1ccccc1Cl
InChIInChI=1S/C21H16Cl2N2O3/c22-13-7-8-15-17(24-20(26)14-4-1-2-5-16(14)23)9-10-25(18(15)12-13)21(27)19-6-3-11-28-19/h1-8,11-12,17H,9-10H2,(H,24,26)
InChIKeyQTBDNHDMGSVDSQ-UHFFFAOYSA-N
MW415.28 g/mol
LogP5.11
Rot. Bonds3

About 2-chloro-N-[7-chloro-1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide

2-chloro-N-[7-chloro-1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide (PubChem CID 134278832) has the molecular formula C21H16Cl2N2O3 and a molecular weight of 415.28 g/mol. Its IUPAC name is 2-chloro-N-[7-chloro-1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[7-chloro-1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide
PubChem CID134278832
Molecular FormulaC21H16Cl2N2O3
Molecular Weight415.28 g/mol
Exact Mass414.05
IUPAC Name2-chloro-N-[7-chloro-1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2ccco2)c2cc(Cl)ccc21)c1ccccc1Cl
InChIInChI=1S/C21H16Cl2N2O3/c22-13-7-8-15-17(24-20(26)14-4-1-2-5-16(14)23)9-10-25(18(15)12-13)21(27)19-6-3-11-28-19/h1-8,11-12,17H,9-10H2,(H,24,26)
InChIKeyQTBDNHDMGSVDSQ-UHFFFAOYSA-N
XLogP5.11
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.28
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[7-chloro-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide
CID 134278889
2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide
CID 46420508
N'-(2,5-dichlorobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 46520147
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
2-chloro-N-[1-methyl-4-(3,4,5-trifluorobenzoyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278405
2-chloro-N-[7-chloro-1-(6-chloropyridine-3-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-4-yl]benzamide
CID 134278752
2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083174
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(furan-2-yl)methanone
CID 5152837
(7-chloro-4-nitroso-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone
CID 54298287
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
2-chloro-N-[4-(2,5-dimethylpyrazole-3-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278554

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[7-chloro-1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[7-chloro-1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide (CID 134278832) is 2-chloro-N-[7-chloro-1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[7-chloro-1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[7-chloro-1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide is O=C(NC1CCN(C(=O)c2ccco2)c2cc(Cl)ccc21)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[7-chloro-1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide?
The InChIKey is QTBDNHDMGSVDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O3/c22-13-7-8-15-17(24-20(26)14-4-1-2-5-16(14)23)9-10-25(18(15)12-13)21(27)19-6-3-11-28-19/h1-8,11-12,17H,9-10H2,(H,24,26).
What are the key properties of 2-chloro-N-[7-chloro-1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide?
2-chloro-N-[7-chloro-1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide has a molecular weight of 415.28 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[7-chloro-1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide is sourced from PubChem (CID 134278832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).