6-[amino-(4-chlorophenyl)-(3-ethylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one

C28H24Cl2N4O — CID 46236366

IUPAC6-[amino-(4-chlorophenyl)-(3-ethylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
SMILESCCn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
InChIInChI=1S/C28H24Cl2N4O/c1-3-34-17-32-16-26(34)28(31,19-7-10-21(29)11-8-19)20-9-12-25-24(14-20)23(15-27(35)33(25)2)18-5-4-6-22(30)13-18/h4-17H,3,31H2,1-2H3
InChIKeyFYYAPMGYQONMQC-UHFFFAOYSA-N
MW503.43 g/mol
LogP5.98
Rot. Bonds5

About 6-[amino-(4-chlorophenyl)-(3-ethylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one

6-[amino-(4-chlorophenyl)-(3-ethylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one (PubChem CID 46236366) has the molecular formula C28H24Cl2N4O and a molecular weight of 503.43 g/mol. Its IUPAC name is 6-[amino-(4-chlorophenyl)-(3-ethylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name6-[amino-(4-chlorophenyl)-(3-ethylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
PubChem CID46236366
Molecular FormulaC28H24Cl2N4O
Molecular Weight503.43 g/mol
Exact Mass502.13
IUPAC Name6-[amino-(4-chlorophenyl)-(3-ethylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
SMILESCCn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
InChIInChI=1S/C28H24Cl2N4O/c1-3-34-17-32-16-26(34)28(31,19-7-10-21(29)11-8-19)20-9-12-25-24(14-20)23(15-27(35)33(25)2)18-5-4-6-22(30)13-18/h4-17H,3,31H2,1-2H3
InChIKeyFYYAPMGYQONMQC-UHFFFAOYSA-N
XLogP5.98
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.43
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 9935249
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CID 23646763
CID 23646763
CID 23646764
CID 23646764
CID 23646765
CID 23646765
CID 23646774
CID 23646774
CID 9848457
CID 9848457
CID 9848458
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CID 9891655
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CID 9891739
CID 9891739

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(4-chlorophenyl)-(3-ethylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one?
The IUPAC name of 6-[amino-(4-chlorophenyl)-(3-ethylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one (CID 46236366) is 6-[amino-(4-chlorophenyl)-(3-ethylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one.
What is the SMILES notation for 6-[amino-(4-chlorophenyl)-(3-ethylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one?
The canonical SMILES for 6-[amino-(4-chlorophenyl)-(3-ethylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one is CCn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C.
What is the InChIKey of 6-[amino-(4-chlorophenyl)-(3-ethylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one?
The InChIKey is FYYAPMGYQONMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N4O/c1-3-34-17-32-16-26(34)28(31,19-7-10-21(29)11-8-19)20-9-12-25-24(14-20)23(15-27(35)33(25)2)18-5-4-6-22(30)13-18/h4-17H,3,31H2,1-2H3.
What are the key properties of 6-[amino-(4-chlorophenyl)-(3-ethylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one?
6-[amino-(4-chlorophenyl)-(3-ethylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one has a molecular weight of 503.43 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(4-chlorophenyl)-(3-ethylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one is sourced from PubChem (CID 46236366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).