6-[(E)-1-amino-1-(4-chlorophenyl)-2-methylpent-2-enyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;ethane;prop-1-ene

C33H38Cl2N2O — CID 143128756

IUPAC6-[(E)-1-amino-1-(4-chlorophenyl)-2-methylpent-2-enyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;ethane;prop-1-ene
SMILESC=CC.CC.CC/C=C(\C)C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
InChIInChI=1S/C28H26Cl2N2O.C3H6.C2H6/c1-4-6-18(2)28(31,20-9-12-22(29)13-10-20)21-11-14-26-25(16-21)24(17-27(33)32(26)3)19-7-5-8-23(30)15-19;1-3-2;1-2/h5-17H,4,31H2,1-3H3;3H,1H2,2H3;1-2H3/b18-6+;;
InChIKeyHHDIDUSLMQUKHX-KEPFFZHYSA-N
MW549.59 g/mol
LogP9.29
Rot. Bonds5

About 6-[(E)-1-amino-1-(4-chlorophenyl)-2-methylpent-2-enyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;ethane;prop-1-ene

6-[(E)-1-amino-1-(4-chlorophenyl)-2-methylpent-2-enyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;ethane;prop-1-ene (PubChem CID 143128756) has the molecular formula C33H38Cl2N2O and a molecular weight of 549.59 g/mol. Its IUPAC name is 6-[(E)-1-amino-1-(4-chlorophenyl)-2-methylpent-2-enyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;ethane;prop-1-ene.

Molecular Properties

Compound Name6-[(E)-1-amino-1-(4-chlorophenyl)-2-methylpent-2-enyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;ethane;prop-1-ene
PubChem CID143128756
Molecular FormulaC33H38Cl2N2O
Molecular Weight549.59 g/mol
Exact Mass548.24
IUPAC Name6-[(E)-1-amino-1-(4-chlorophenyl)-2-methylpent-2-enyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;ethane;prop-1-ene
SMILESC=CC.CC.CC/C=C(\C)C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
InChIInChI=1S/C28H26Cl2N2O.C3H6.C2H6/c1-4-6-18(2)28(31,20-9-12-22(29)13-10-20)21-11-14-26-25(16-21)24(17-27(33)32(26)3)19-7-5-8-23(30)15-19;1-3-2;1-2/h5-17H,4,31H2,1-3H3;3H,1H2,2H3;1-2H3/b18-6+;;
InChIKeyHHDIDUSLMQUKHX-KEPFFZHYSA-N
XLogP9.29
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.59
LogP ≤ 59.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chlorophenyl)-6-[(4-chlorophenyl)methyl]-1-methylquinolin-2-one;ethane;(Z)-ethene-1,2-diamine
CID 142985463
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;hydrochloride
CID 168994781
6-[(R)-amino-(4-chlorophenyl)-(1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
CID 59157844
6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-methylquinolin-2-one
CID 11452553
6-[(S)-amino-(4-chlorophenyl)-(3-methyl-4,5-dihydroimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
CID 164672387
6-[amino-(3-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;dimethylphosphorylmethane
CID 91416842
3-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]benzaldehyde
CID 89383076
6-[(Z)-3-amino-2-[ethenyl(methyl)amino]-1-hydroxy-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
CID 89383231
6-[(Z)-3-amino-2-[ethenyl(methyl)amino]-1-hydroxy-1-[4-[(2-phenylethylamino)methyl]phenyl]prop-2-enyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
CID 89383191
6-[(S)-amino-[4-chloro-2-(3-diethoxyphosphorylpropyl)phenyl]-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
CID 89228100
4-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]-N-pyridin-4-ylbenzamide
CID 89383281
4-(3-chlorophenyl)-6-[(3-chlorothiophen-2-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 22465424

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-1-amino-1-(4-chlorophenyl)-2-methylpent-2-enyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;ethane;prop-1-ene?
The IUPAC name of 6-[(E)-1-amino-1-(4-chlorophenyl)-2-methylpent-2-enyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;ethane;prop-1-ene (CID 143128756) is 6-[(E)-1-amino-1-(4-chlorophenyl)-2-methylpent-2-enyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;ethane;prop-1-ene.
What is the SMILES notation for 6-[(E)-1-amino-1-(4-chlorophenyl)-2-methylpent-2-enyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;ethane;prop-1-ene?
The canonical SMILES for 6-[(E)-1-amino-1-(4-chlorophenyl)-2-methylpent-2-enyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;ethane;prop-1-ene is C=CC.CC.CC/C=C(\C)C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C.
What is the InChIKey of 6-[(E)-1-amino-1-(4-chlorophenyl)-2-methylpent-2-enyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;ethane;prop-1-ene?
The InChIKey is HHDIDUSLMQUKHX-KEPFFZHYSA-N. The full InChI is InChI=1S/C28H26Cl2N2O.C3H6.C2H6/c1-4-6-18(2)28(31,20-9-12-22(29)13-10-20)21-11-14-26-25(16-21)24(17-27(33)32(26)3)19-7-5-8-23(30)15-19;1-3-2;1-2/h5-17H,4,31H2,1-3H3;3H,1H2,2H3;1-2H3/b18-6+;;.
What are the key properties of 6-[(E)-1-amino-1-(4-chlorophenyl)-2-methylpent-2-enyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;ethane;prop-1-ene?
6-[(E)-1-amino-1-(4-chlorophenyl)-2-methylpent-2-enyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;ethane;prop-1-ene has a molecular weight of 549.59 g/mol, XLogP of 9.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-1-amino-1-(4-chlorophenyl)-2-methylpent-2-enyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;ethane;prop-1-ene is sourced from PubChem (CID 143128756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).