(7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone

C26H28N2O — CID 3742453

IUPAC(7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2c3cc(N)ccc3C(C)(c3ccccc3)CC2(C)C)cc1
InChIInChI=1S/C26H28N2O/c1-18-10-12-19(13-11-18)24(29)28-23-16-21(27)14-15-22(23)26(4,17-25(28,2)3)20-8-6-5-7-9-20/h5-16H,17,27H2,1-4H3
InChIKeySSJVFGGOLUILQN-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.71
Rot. Bonds2

About (7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone

(7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone (PubChem CID 3742453) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is (7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone
PubChem CID3742453
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name(7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2c3cc(N)ccc3C(C)(c3ccccc3)CC2(C)C)cc1
InChIInChI=1S/C26H28N2O/c1-18-10-12-19(13-11-18)24(29)28-23-16-21(27)14-15-22(23)26(4,17-25(28,2)3)20-8-6-5-7-9-20/h5-16H,17,27H2,1-4H3
InChIKeySSJVFGGOLUILQN-UHFFFAOYSA-N
XLogP5.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-aminophenyl)-(7-chloro-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone
CID 23793476
(4-tert-butylphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone
CID 2307898
ethyl 2-oxo-2-[(4S)-2,2,4,7-tetramethyl-4-phenyl-3H-quinolin-1-yl]acetate
CID 7298133
[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-phenylmethanone
CID 3124468
(4-methylphenyl)-[2,2,4-trimethyl-6-[2,2,4-trimethyl-1-(4-methylbenzoyl)-3H-quinolin-4-yl]quinolin-1-yl]methanone
CID 3094902
1,3-benzodioxol-5-yl-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone
CID 3710122
(3,5-dimethoxyphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone
CID 1344914
[(4R)-4-(4-ethoxyphenyl)-2,2,4,6-tetramethyl-3H-quinolin-1-yl]-phenylmethanone
CID 2721223
[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-(4-fluorophenyl)methanone
CID 3721009
(3aS,7aS)-2-[2-oxo-2-[(4R)-2,2,4,7-tetramethyl-4-phenyl-3H-quinolin-1-yl]ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 6581820
furan-2-yl-[(4S)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone
CID 672092
1-[7-(1,3-benzodioxol-5-yl)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]ethanone
CID 23990794

Frequently Asked Questions

What is the IUPAC name of (7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone?
The IUPAC name of (7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone (CID 3742453) is (7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2c3cc(N)ccc3C(C)(c3ccccc3)CC2(C)C)cc1.
What is the InChIKey of (7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone?
The InChIKey is SSJVFGGOLUILQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-18-10-12-19(13-11-18)24(29)28-23-16-21(27)14-15-22(23)26(4,17-25(28,2)3)20-8-6-5-7-9-20/h5-16H,17,27H2,1-4H3.
What are the key properties of (7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone?
(7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone has a molecular weight of 384.52 g/mol, XLogP of 5.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 3742453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).