6-[amino-(3-methylimidazol-4-yl)-(4-methylphenyl)methyl]-4-(3-methylphenyl)-1H-quinolin-2-one;ethane

C30H32N4O — CID 143128762

IUPAC6-[amino-(3-methylimidazol-4-yl)-(4-methylphenyl)methyl]-4-(3-methylphenyl)-1H-quinolin-2-one;ethane
SMILESCC.Cc1ccc(C(N)(c2ccc3[nH]c(=O)cc(-c4cccc(C)c4)c3c2)c2cncn2C)cc1
InChIInChI=1S/C28H26N4O.C2H6/c1-18-7-9-21(10-8-18)28(29,26-16-30-17-32(26)3)22-11-12-25-24(14-22)23(15-27(33)31-25)20-6-4-5-19(2)13-20;1-2/h4-17H,29H2,1-3H3,(H,31,33);1-2H3
InChIKeyGHNUZHYOOAHEPE-UHFFFAOYSA-N
MW464.61 g/mol
LogP5.82
Rot. Bonds4

About 6-[amino-(3-methylimidazol-4-yl)-(4-methylphenyl)methyl]-4-(3-methylphenyl)-1H-quinolin-2-one;ethane

6-[amino-(3-methylimidazol-4-yl)-(4-methylphenyl)methyl]-4-(3-methylphenyl)-1H-quinolin-2-one;ethane (PubChem CID 143128762) has the molecular formula C30H32N4O and a molecular weight of 464.61 g/mol. Its IUPAC name is 6-[amino-(3-methylimidazol-4-yl)-(4-methylphenyl)methyl]-4-(3-methylphenyl)-1H-quinolin-2-one;ethane.

Molecular Properties

Compound Name6-[amino-(3-methylimidazol-4-yl)-(4-methylphenyl)methyl]-4-(3-methylphenyl)-1H-quinolin-2-one;ethane
PubChem CID143128762
Molecular FormulaC30H32N4O
Molecular Weight464.61 g/mol
Exact Mass464.26
IUPAC Name6-[amino-(3-methylimidazol-4-yl)-(4-methylphenyl)methyl]-4-(3-methylphenyl)-1H-quinolin-2-one;ethane
SMILESCC.Cc1ccc(C(N)(c2ccc3[nH]c(=O)cc(-c4cccc(C)c4)c3c2)c2cncn2C)cc1
InChIInChI=1S/C28H26N4O.C2H6/c1-18-7-9-21(10-8-18)28(29,26-16-30-17-32(26)3)22-11-12-25-24(14-22)23(15-27(33)31-25)20-6-4-5-19(2)13-20;1-2/h4-17H,29H2,1-3H3,(H,31,33);1-2H3
InChIKeyGHNUZHYOOAHEPE-UHFFFAOYSA-N
XLogP5.82
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3,5-dimethylphenyl)-1H-quinolin-2-one
CID 46237411
[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanamine
CID 143128783
4-(3-chlorophenyl)-6-[hydroxy-[4-[(Z)-hydroxyiminomethyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1H-quinolin-2-one
CID 10206331
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;hydrochloride
CID 168994781
6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-dichlorophenyl)-1H-quinolin-2-one
CID 46237265
6-[amino-(3-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;dimethylphosphorylmethane
CID 91416842
6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1H-quinolin-2-one
CID 46237008
1-[6-[hydroxy-(3-methylimidazol-4-yl)-(4-methylphenyl)methyl]-4-(3-methylphenyl)quinolin-2-yl]-3-phenylurea
CID 142129113
6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-[3-[(E)-methoxyiminomethyl]phenyl]-1-methylquinolin-2-one
CID 20748851
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-[[methyl(propyl)amino]methyl]quinolin-2-one
CID 163709898
(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine
CID 23388978
4-(4-methoxyphenyl)-6-methyl-1H-quinolin-2-one
CID 139231028

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(3-methylimidazol-4-yl)-(4-methylphenyl)methyl]-4-(3-methylphenyl)-1H-quinolin-2-one;ethane?
The IUPAC name of 6-[amino-(3-methylimidazol-4-yl)-(4-methylphenyl)methyl]-4-(3-methylphenyl)-1H-quinolin-2-one;ethane (CID 143128762) is 6-[amino-(3-methylimidazol-4-yl)-(4-methylphenyl)methyl]-4-(3-methylphenyl)-1H-quinolin-2-one;ethane.
What is the SMILES notation for 6-[amino-(3-methylimidazol-4-yl)-(4-methylphenyl)methyl]-4-(3-methylphenyl)-1H-quinolin-2-one;ethane?
The canonical SMILES for 6-[amino-(3-methylimidazol-4-yl)-(4-methylphenyl)methyl]-4-(3-methylphenyl)-1H-quinolin-2-one;ethane is CC.Cc1ccc(C(N)(c2ccc3[nH]c(=O)cc(-c4cccc(C)c4)c3c2)c2cncn2C)cc1.
What is the InChIKey of 6-[amino-(3-methylimidazol-4-yl)-(4-methylphenyl)methyl]-4-(3-methylphenyl)-1H-quinolin-2-one;ethane?
The InChIKey is GHNUZHYOOAHEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O.C2H6/c1-18-7-9-21(10-8-18)28(29,26-16-30-17-32(26)3)22-11-12-25-24(14-22)23(15-27(33)31-25)20-6-4-5-19(2)13-20;1-2/h4-17H,29H2,1-3H3,(H,31,33);1-2H3.
What are the key properties of 6-[amino-(3-methylimidazol-4-yl)-(4-methylphenyl)methyl]-4-(3-methylphenyl)-1H-quinolin-2-one;ethane?
6-[amino-(3-methylimidazol-4-yl)-(4-methylphenyl)methyl]-4-(3-methylphenyl)-1H-quinolin-2-one;ethane has a molecular weight of 464.61 g/mol, XLogP of 5.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(3-methylimidazol-4-yl)-(4-methylphenyl)methyl]-4-(3-methylphenyl)-1H-quinolin-2-one;ethane is sourced from PubChem (CID 143128762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).