(6Z)-2-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-7,7-dimethyl-4-phenyl-4,8-dihydro-1H-quinolin-5-one

C30H25Cl2NO — CID 139214370

IUPAC(6Z)-2-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-7,7-dimethyl-4-phenyl-4,8-dihydro-1H-quinolin-5-one
SMILESCC1(C)CC2=C(C(=O)/C1=C\c1ccc(Cl)cc1)C(c1ccccc1)C=C(c1ccc(Cl)cc1)N2
InChIInChI=1S/C30H25Cl2NO/c1-30(2)18-27-28(29(34)25(30)16-19-8-12-22(31)13-9-19)24(20-6-4-3-5-7-20)17-26(33-27)21-10-14-23(32)15-11-21/h3-17,24,33H,18H2,1-2H3/b25-16+
InChIKeyXNXRVADQUMVQPW-PCLIKHOPSA-N
MW486.44 g/mol
LogP8.06
Rot. Bonds3

About (6Z)-2-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-7,7-dimethyl-4-phenyl-4,8-dihydro-1H-quinolin-5-one

(6Z)-2-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-7,7-dimethyl-4-phenyl-4,8-dihydro-1H-quinolin-5-one (PubChem CID 139214370) has the molecular formula C30H25Cl2NO and a molecular weight of 486.44 g/mol. Its IUPAC name is (6Z)-2-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-7,7-dimethyl-4-phenyl-4,8-dihydro-1H-quinolin-5-one.

Molecular Properties

Compound Name(6Z)-2-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-7,7-dimethyl-4-phenyl-4,8-dihydro-1H-quinolin-5-one
PubChem CID139214370
Molecular FormulaC30H25Cl2NO
Molecular Weight486.44 g/mol
Exact Mass485.13
IUPAC Name(6Z)-2-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-7,7-dimethyl-4-phenyl-4,8-dihydro-1H-quinolin-5-one
SMILESCC1(C)CC2=C(C(=O)/C1=C\c1ccc(Cl)cc1)C(c1ccccc1)C=C(c1ccc(Cl)cc1)N2
InChIInChI=1S/C30H25Cl2NO/c1-30(2)18-27-28(29(34)25(30)16-19-8-12-22(31)13-9-19)24(20-6-4-3-5-7-20)17-26(33-27)21-10-14-23(32)15-11-21/h3-17,24,33H,18H2,1-2H3/b25-16+
InChIKeyXNXRVADQUMVQPW-PCLIKHOPSA-N
XLogP8.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.44
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(6Z)-6-[(4-bromophenyl)methylidene]-2,4-bis(4-chlorophenyl)-7,7-dimethyl-4,8-dihydro-1H-quinolin-5-one
CID 139214414
(6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-7,7-dimethyl-2,4-diphenyl-4,8-dihydro-1H-quinolin-5-one
CID 139214449
4-(2,4-dichlorophenyl)-7,7-dimethyl-2-phenyl-1,4,6,8-tetrahydroquinolin-5-one
CID 122202226
(3E)-4,4-dimethyl-3-[(4-phenylphenyl)methylidene]oxolan-2-one
CID 155683447
8,8-dimethyl-3,5-diphenyl-2,5,7,9-tetrahydro-1H-1,2-benzodiazepin-6-one
CID 3353892
2-(4-bromophenyl)-7,7-dimethyl-4-(4-methylphenyl)-1,4,6,8-tetrahydroquinolin-5-one
CID 102037403
4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-2-carboxylic acid
CID 46906827
2,7,7-trimethyl-4-phenyl-1,4,6,8-tetrahydroquinolin-5-one
CID 25194423
4-(4-hydroxy-3-nitrophenyl)-7,7-dimethyl-2-phenyl-1,4,6,8-tetrahydroquinolin-5-one
CID 102037395
4-(4-chlorophenyl)-6-phenyl-3,6-dihydro-1,3-thiazine-2-thione
CID 3275490
(3E)-3-[(4-chlorophenyl)methylidene]-5-(4-phenoxyphenyl)-1H-pyrrol-2-one
CID 5277452
5-(4-chlorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3464812

Frequently Asked Questions

What is the IUPAC name of (6Z)-2-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-7,7-dimethyl-4-phenyl-4,8-dihydro-1H-quinolin-5-one?
The IUPAC name of (6Z)-2-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-7,7-dimethyl-4-phenyl-4,8-dihydro-1H-quinolin-5-one (CID 139214370) is (6Z)-2-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-7,7-dimethyl-4-phenyl-4,8-dihydro-1H-quinolin-5-one.
What is the SMILES notation for (6Z)-2-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-7,7-dimethyl-4-phenyl-4,8-dihydro-1H-quinolin-5-one?
The canonical SMILES for (6Z)-2-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-7,7-dimethyl-4-phenyl-4,8-dihydro-1H-quinolin-5-one is CC1(C)CC2=C(C(=O)/C1=C\c1ccc(Cl)cc1)C(c1ccccc1)C=C(c1ccc(Cl)cc1)N2.
What is the InChIKey of (6Z)-2-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-7,7-dimethyl-4-phenyl-4,8-dihydro-1H-quinolin-5-one?
The InChIKey is XNXRVADQUMVQPW-PCLIKHOPSA-N. The full InChI is InChI=1S/C30H25Cl2NO/c1-30(2)18-27-28(29(34)25(30)16-19-8-12-22(31)13-9-19)24(20-6-4-3-5-7-20)17-26(33-27)21-10-14-23(32)15-11-21/h3-17,24,33H,18H2,1-2H3/b25-16+.
What are the key properties of (6Z)-2-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-7,7-dimethyl-4-phenyl-4,8-dihydro-1H-quinolin-5-one?
(6Z)-2-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-7,7-dimethyl-4-phenyl-4,8-dihydro-1H-quinolin-5-one has a molecular weight of 486.44 g/mol, XLogP of 8.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2-(4-chlorophenyl)-6-[(4-chlorophenyl)methylidene]-7,7-dimethyl-4-phenyl-4,8-dihydro-1H-quinolin-5-one is sourced from PubChem (CID 139214370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).