2-[4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]phenyl]acetamide

C30H23Cl2N3O2 — CID 118324045

IUPAC2-[4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2cc(=O)[nH]c3ccc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)cc1
InChIInChI=1S/C30H23Cl2N3O2/c31-22-8-3-19(4-9-22)30(20-5-10-23(32)11-6-20)21-7-14-26-25(16-21)27(17-29(37)35-26)34-24-12-1-18(2-13-24)15-28(33)36/h1-14,16-17,30H,15H2,(H2,33,36)(H2,34,35,37)
InChIKeyNROPRVDZXGJHLE-UHFFFAOYSA-N
MW528.44 g/mol
LogP6.79
Rot. Bonds7

About 2-[4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]phenyl]acetamide

2-[4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]phenyl]acetamide (PubChem CID 118324045) has the molecular formula C30H23Cl2N3O2 and a molecular weight of 528.44 g/mol. Its IUPAC name is 2-[4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]phenyl]acetamide
PubChem CID118324045
Molecular FormulaC30H23Cl2N3O2
Molecular Weight528.44 g/mol
Exact Mass527.12
IUPAC Name2-[4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2cc(=O)[nH]c3ccc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)cc1
InChIInChI=1S/C30H23Cl2N3O2/c31-22-8-3-19(4-9-22)30(20-5-10-23(32)11-6-20)21-7-14-26-25(16-21)27(17-29(37)35-26)34-24-12-1-18(2-13-24)15-28(33)36/h1-14,16-17,30H,15H2,(H2,33,36)(H2,34,35,37)
InChIKeyNROPRVDZXGJHLE-UHFFFAOYSA-N
XLogP6.79
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.44
LogP ≤ 56.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]benzamide
CID 118323947
6-[bis(4-chlorophenyl)methyl]-4-[4-[2-(2-methoxyethoxy)ethoxy]anilino]-1H-quinolin-2-one
CID 126617687
6-[bis(4-chlorophenyl)methyl]-4-[3-(trifluoromethyl)anilino]-1H-quinolin-2-one
CID 118329978
2-[6-chloro-3-(4-chloroanilino)-9H-carbazol-1-yl]acetamide
CID 171794132
2-[6-chloro-3-(4-methylanilino)-9H-carbazol-1-yl]acetamide
CID 171793226
4-(azetidin-3-ylmethylamino)-6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-1H-quinolin-2-one
CID 118324109
4-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-6-[bis(4-chlorophenyl)methyl]-1H-quinolin-2-one
CID 118324141
4-[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 118341735
N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloro-1H-indole-2-carboxamide
CID 31862421
6-[bis(4-chlorophenyl)methyl]-4-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]amino]-1H-quinolin-2-one
CID 118329982
6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]-1H-quinolin-2-one
CID 118323968
6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-quinolin-2-one
CID 118324034

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]phenyl]acetamide (CID 118324045) is 2-[4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]phenyl]acetamide is NC(=O)Cc1ccc(Nc2cc(=O)[nH]c3ccc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)cc1.
What is the InChIKey of 2-[4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]phenyl]acetamide?
The InChIKey is NROPRVDZXGJHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23Cl2N3O2/c31-22-8-3-19(4-9-22)30(20-5-10-23(32)11-6-20)21-7-14-26-25(16-21)27(17-29(37)35-26)34-24-12-1-18(2-13-24)15-28(33)36/h1-14,16-17,30H,15H2,(H2,33,36)(H2,34,35,37).
What are the key properties of 2-[4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]phenyl]acetamide?
2-[4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]phenyl]acetamide has a molecular weight of 528.44 g/mol, XLogP of 6.79, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 118324045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).