N-[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide

C24H20ClN3O2 — CID 20854379

IUPACN-[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NCc3ccc(Cl)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H20ClN3O2/c1-30-19-12-10-18(11-13-19)27-23-14-21(20-4-2-3-5-22(20)28-23)24(29)26-15-16-6-8-17(25)9-7-16/h2-14H,15H2,1H3,(H,26,29)(H,27,28)
InChIKeyAGFLXZFJYHWLTF-UHFFFAOYSA-N
MW417.90 g/mol
LogP5.57
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide

N-[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide (PubChem CID 20854379) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
PubChem CID20854379
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NCc3ccc(Cl)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H20ClN3O2/c1-30-19-12-10-18(11-13-19)27-23-14-21(20-4-2-3-5-22(20)28-23)24(29)26-15-16-6-8-17(25)9-7-16/h2-14H,15H2,1H3,(H,26,29)(H,27,28)
InChIKeyAGFLXZFJYHWLTF-UHFFFAOYSA-N
XLogP5.57
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.90
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylanilino)quinoline-4-carboxamide
CID 20854553
2-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 126458298
2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide
CID 20854390
N-(2,2-dimethoxyethyl)-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 46253310
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 20854384
N'-(2-chloroacetyl)-2-(4-methoxyanilino)quinoline-4-carbohydrazide
CID 14892420
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679
N-[(4-chlorophenyl)methyl]-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109119926
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3269613
2-(4-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 24793582
2-(4-ethylanilino)quinoline-4-carboxylic acid
CID 4166547
2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
CID 15990753

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide (CID 20854379) is N-[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide is COc1ccc(Nc2cc(C(=O)NCc3ccc(Cl)cc3)c3ccccc3n2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide?
The InChIKey is AGFLXZFJYHWLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c1-30-19-12-10-18(11-13-19)27-23-14-21(20-4-2-3-5-22(20)28-23)24(29)26-15-16-6-8-17(25)9-7-16/h2-14H,15H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide?
N-[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide has a molecular weight of 417.90 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide is sourced from PubChem (CID 20854379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).