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

C21H15ClN2O3 — CID 2361920

IUPACN-(3-chloro-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1Cl
InChIInChI=1S/C21H15ClN2O3/c1-26-19-9-8-13(11-16(19)22)23-21(25)15-12-18(20-7-4-10-27-20)24-17-6-3-2-5-14(15)17/h2-12H,1H3,(H,23,25)
InChIKeyRTVYWXXYFXGYRN-UHFFFAOYSA-N
MW378.82 g/mol
LogP5.41
Rot. Bonds4

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

N-(3-chloro-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide (PubChem CID 2361920) has the molecular formula C21H15ClN2O3 and a molecular weight of 378.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
PubChem CID2361920
Molecular FormulaC21H15ClN2O3
Molecular Weight378.82 g/mol
Exact Mass378.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1Cl
InChIInChI=1S/C21H15ClN2O3/c1-26-19-9-8-13(11-16(19)22)23-21(25)15-12-18(20-7-4-10-27-20)24-17-6-3-2-5-14(15)17/h2-12H,1H3,(H,23,25)
InChIKeyRTVYWXXYFXGYRN-UHFFFAOYSA-N
XLogP5.41
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.82
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 35346205
N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 9096906
2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide
CID 3663828
2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
CID 134016603
2-(furan-2-yl)-N-[4-(propan-2-ylcarbamoyl)phenyl]quinoline-4-carboxamide
CID 55864663
2-(furan-2-yl)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 9214487
N-(2-chloro-4-fluorophenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 8011201
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide
CID 5455193
N-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 3391261
methyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate
CID 69058488
2-(furan-2-yl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
CID 4197636
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide (CID 2361920) is N-(3-chloro-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide?
The InChIKey is RTVYWXXYFXGYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O3/c1-26-19-9-8-13(11-16(19)22)23-21(25)15-12-18(20-7-4-10-27-20)24-17-6-3-2-5-14(15)17/h2-12H,1H3,(H,23,25).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide has a molecular weight of 378.82 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 2361920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).