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

C29H21Cl2N3O2 — CID 118323947

IUPAC4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2cc(=O)[nH]c3ccc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)cc1
InChIInChI=1S/C29H21Cl2N3O2/c30-21-8-1-17(2-9-21)28(18-3-10-22(31)11-4-18)20-7-14-25-24(15-20)26(16-27(35)34-25)33-23-12-5-19(6-13-23)29(32)36/h1-16,28H,(H2,32,36)(H2,33,34,35)
InChIKeyBLTDUYASEOYHKZ-UHFFFAOYSA-N
MW514.41 g/mol
LogP6.86
Rot. Bonds6

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

4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]benzamide (PubChem CID 118323947) has the molecular formula C29H21Cl2N3O2 and a molecular weight of 514.41 g/mol. Its IUPAC name is 4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]benzamide
PubChem CID118323947
Molecular FormulaC29H21Cl2N3O2
Molecular Weight514.41 g/mol
Exact Mass513.10
IUPAC Name4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2cc(=O)[nH]c3ccc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)cc1
InChIInChI=1S/C29H21Cl2N3O2/c30-21-8-1-17(2-9-21)28(18-3-10-22(31)11-4-18)20-7-14-25-24(15-20)26(16-27(35)34-25)33-23-12-5-19(6-13-23)29(32)36/h1-16,28H,(H2,32,36)(H2,33,34,35)
InChIKeyBLTDUYASEOYHKZ-UHFFFAOYSA-N
XLogP6.86
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.41
LogP ≤ 56.86
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

2-[4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]phenyl]acetamide
CID 118324045
6-[bis(4-chlorophenyl)methyl]-4-[3-(trifluoromethyl)anilino]-1H-quinolin-2-one
CID 118329978
6-[bis(4-chlorophenyl)methyl]-4-[4-[2-(2-methoxyethoxy)ethoxy]anilino]-1H-quinolin-2-one
CID 126617687
4-[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 118341735
6-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]-1H-quinolin-2-one
CID 118323989
4-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-6-[bis(4-chlorophenyl)methyl]-1H-quinolin-2-one
CID 118324141
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
4-(azetidin-3-ylmethylamino)-6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-1H-quinolin-2-one
CID 118324109
2-[6-chloro-3-(4-chloroanilino)-9H-carbazol-1-yl]acetamide
CID 171794132
N-(4-carbamoylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 8840546
6-[bis(4-chlorophenyl)methyl]-4-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]amino]-1H-quinolin-2-one
CID 118329982

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]benzamide?
The IUPAC name of 4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]benzamide (CID 118323947) is 4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]benzamide.
What is the SMILES notation for 4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]benzamide?
The canonical SMILES for 4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]benzamide is NC(=O)c1ccc(Nc2cc(=O)[nH]c3ccc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)cc1.
What is the InChIKey of 4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]benzamide?
The InChIKey is BLTDUYASEOYHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21Cl2N3O2/c30-21-8-1-17(2-9-21)28(18-3-10-22(31)11-4-18)20-7-14-25-24(15-20)26(16-27(35)34-25)33-23-12-5-19(6-13-23)29(32)36/h1-16,28H,(H2,32,36)(H2,33,34,35).
What are the key properties of 4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]benzamide?
4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]benzamide has a molecular weight of 514.41 g/mol, XLogP of 6.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[bis(4-chlorophenyl)methyl]-2-oxo-1H-quinolin-4-yl]amino]benzamide is sourced from PubChem (CID 118323947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).