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

C32H32N2O — CID 139214449

IUPAC(6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-7,7-dimethyl-2,4-diphenyl-4,8-dihydro-1H-quinolin-5-one
SMILESCN(C)c1ccc(/C=C2\C(=O)C3=C(CC2(C)C)NC(c2ccccc2)=CC3c2ccccc2)cc1
InChIInChI=1S/C32H32N2O/c1-32(2)21-29-30(31(35)27(32)19-22-15-17-25(18-16-22)34(3)4)26(23-11-7-5-8-12-23)20-28(33-29)24-13-9-6-10-14-24/h5-20,26,33H,21H2,1-4H3/b27-19+
InChIKeyPZCYEYVONJKQIA-ZXVVBBHZSA-N
MW460.62 g/mol
LogP6.82
Rot. Bonds4

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

(6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-7,7-dimethyl-2,4-diphenyl-4,8-dihydro-1H-quinolin-5-one (PubChem CID 139214449) has the molecular formula C32H32N2O and a molecular weight of 460.62 g/mol. Its IUPAC name is (6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-7,7-dimethyl-2,4-diphenyl-4,8-dihydro-1H-quinolin-5-one.

Molecular Properties

Compound Name(6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-7,7-dimethyl-2,4-diphenyl-4,8-dihydro-1H-quinolin-5-one
PubChem CID139214449
Molecular FormulaC32H32N2O
Molecular Weight460.62 g/mol
Exact Mass460.25
IUPAC Name(6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-7,7-dimethyl-2,4-diphenyl-4,8-dihydro-1H-quinolin-5-one
SMILESCN(C)c1ccc(/C=C2\C(=O)C3=C(CC2(C)C)NC(c2ccccc2)=CC3c2ccccc2)cc1
InChIInChI=1S/C32H32N2O/c1-32(2)21-29-30(31(35)27(32)19-22-15-17-25(18-16-22)34(3)4)26(23-11-7-5-8-12-23)20-28(33-29)24-13-9-6-10-14-24/h5-20,26,33H,21H2,1-4H3/b27-19+
InChIKeyPZCYEYVONJKQIA-ZXVVBBHZSA-N
XLogP6.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-7,7-dimethyl-2,4-diphenyl-4,8-dihydro-1H-quinolin-5-one?
The IUPAC name of (6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-7,7-dimethyl-2,4-diphenyl-4,8-dihydro-1H-quinolin-5-one (CID 139214449) is (6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-7,7-dimethyl-2,4-diphenyl-4,8-dihydro-1H-quinolin-5-one.
What is the SMILES notation for (6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-7,7-dimethyl-2,4-diphenyl-4,8-dihydro-1H-quinolin-5-one?
The canonical SMILES for (6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-7,7-dimethyl-2,4-diphenyl-4,8-dihydro-1H-quinolin-5-one is CN(C)c1ccc(/C=C2\C(=O)C3=C(CC2(C)C)NC(c2ccccc2)=CC3c2ccccc2)cc1.
What is the InChIKey of (6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-7,7-dimethyl-2,4-diphenyl-4,8-dihydro-1H-quinolin-5-one?
The InChIKey is PZCYEYVONJKQIA-ZXVVBBHZSA-N. The full InChI is InChI=1S/C32H32N2O/c1-32(2)21-29-30(31(35)27(32)19-22-15-17-25(18-16-22)34(3)4)26(23-11-7-5-8-12-23)20-28(33-29)24-13-9-6-10-14-24/h5-20,26,33H,21H2,1-4H3/b27-19+.
What are the key properties of (6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-7,7-dimethyl-2,4-diphenyl-4,8-dihydro-1H-quinolin-5-one?
(6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-7,7-dimethyl-2,4-diphenyl-4,8-dihydro-1H-quinolin-5-one has a molecular weight of 460.62 g/mol, XLogP of 6.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-7,7-dimethyl-2,4-diphenyl-4,8-dihydro-1H-quinolin-5-one is sourced from PubChem (CID 139214449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).