N-[[4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-(3-methylimidazol-4-yl)methyl]-2-methoxyacetamide

C30H26Cl2N4O3 — CID 91435879

IUPACN-[[4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-(3-methylimidazol-4-yl)methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC(c1ccc2c(c1)c(-c1cccc(Cl)c1)c(-c1ccc(Cl)cc1)c(=O)n2C)c1cncn1C
InChIInChI=1S/C30H26Cl2N4O3/c1-35-17-33-15-25(35)29(34-26(37)16-39-3)20-9-12-24-23(14-20)27(19-5-4-6-22(32)13-19)28(30(38)36(24)2)18-7-10-21(31)11-8-18/h4-15,17,29H,16H2,1-3H3,(H,34,37)
InChIKeyBWXXDDPWOMNZJU-UHFFFAOYSA-N
MW561.47 g/mol
LogP5.76
Rot. Bonds7

About N-[[4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-(3-methylimidazol-4-yl)methyl]-2-methoxyacetamide

N-[[4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-(3-methylimidazol-4-yl)methyl]-2-methoxyacetamide (PubChem CID 91435879) has the molecular formula C30H26Cl2N4O3 and a molecular weight of 561.47 g/mol. Its IUPAC name is N-[[4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-(3-methylimidazol-4-yl)methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-(3-methylimidazol-4-yl)methyl]-2-methoxyacetamide
PubChem CID91435879
Molecular FormulaC30H26Cl2N4O3
Molecular Weight561.47 g/mol
Exact Mass560.14
IUPAC NameN-[[4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-(3-methylimidazol-4-yl)methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC(c1ccc2c(c1)c(-c1cccc(Cl)c1)c(-c1ccc(Cl)cc1)c(=O)n2C)c1cncn1C
InChIInChI=1S/C30H26Cl2N4O3/c1-35-17-33-15-25(35)29(34-26(37)16-39-3)20-9-12-24-23(14-20)27(19-5-4-6-22(32)13-19)28(30(38)36(24)2)18-7-10-21(31)11-8-18/h4-15,17,29H,16H2,1-3H3,(H,34,37)
InChIKeyBWXXDDPWOMNZJU-UHFFFAOYSA-N
XLogP5.76
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.47
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-3-(2-hydrazinyl-1,3-thiazol-4-yl)-1-methyl-4-phenylquinolin-2-one
CID 53348929
6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(4-ethoxyphenyl)-1-methylquinolin-2-one
CID 91231904
5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinolin-4-amine
CID 69359188
[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol
CID 22048492
N-[(R)-(2-chloro-6-ethenylimino-5,7-dihydrobenzo[7]annulen-9-yl)-(3-methylimidazol-4-yl)methyl]-2-methoxyacetamide
CID 143001860
propan-2-yl N-(2-aminoethyl)-N-[3-[(2S)-13-chloro-10-[(R)-[(2-methoxyacetyl)amino]-(3-methylimidazol-4-yl)methyl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl]propyl]carbamate
CID 143701540
bis(methyl 3-[(4-chlorophenyl)-(1-methyl-2-oxo-4-phenylquinolin-6-yl)methyl]imidazole-4-carboxylate);oxalic acid
CID 173228038
N-(6-chloro-1-methyl-2-oxo-4-phenylquinolin-3-yl)acetamide
CID 11727151
4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 11592576
6-[(4-chloro-N-cyclopropylanilino)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one
CID 54078383
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 23577736
4-[[5-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-methoxymethyl]imidazol-1-yl]methyl]benzonitrile
CID 58906527

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-(3-methylimidazol-4-yl)methyl]-2-methoxyacetamide?
The IUPAC name of N-[[4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-(3-methylimidazol-4-yl)methyl]-2-methoxyacetamide (CID 91435879) is N-[[4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-(3-methylimidazol-4-yl)methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-(3-methylimidazol-4-yl)methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-(3-methylimidazol-4-yl)methyl]-2-methoxyacetamide is COCC(=O)NC(c1ccc2c(c1)c(-c1cccc(Cl)c1)c(-c1ccc(Cl)cc1)c(=O)n2C)c1cncn1C.
What is the InChIKey of N-[[4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-(3-methylimidazol-4-yl)methyl]-2-methoxyacetamide?
The InChIKey is BWXXDDPWOMNZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Cl2N4O3/c1-35-17-33-15-25(35)29(34-26(37)16-39-3)20-9-12-24-23(14-20)27(19-5-4-6-22(32)13-19)28(30(38)36(24)2)18-7-10-21(31)11-8-18/h4-15,17,29H,16H2,1-3H3,(H,34,37).
What are the key properties of N-[[4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-(3-methylimidazol-4-yl)methyl]-2-methoxyacetamide?
N-[[4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-(3-methylimidazol-4-yl)methyl]-2-methoxyacetamide has a molecular weight of 561.47 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-(3-methylimidazol-4-yl)methyl]-2-methoxyacetamide is sourced from PubChem (CID 91435879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).