(4-tert-butylphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone

C29H33NO — CID 2307898

IUPAC(4-tert-butylphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)cc1
InChIInChI=1S/C29H33NO/c1-27(2,3)22-18-16-21(17-19-22)26(31)30-25-15-11-10-14-24(25)29(6,20-28(30,4)5)23-12-8-7-9-13-23/h7-19H,20H2,1-6H3/t29-/m1/s1
InChIKeyGAMWTXDYUIIURJ-GDLZYMKVSA-N
MW411.59 g/mol
LogP7.12
Rot. Bonds2

About (4-tert-butylphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone

(4-tert-butylphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone (PubChem CID 2307898) has the molecular formula C29H33NO and a molecular weight of 411.59 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone
PubChem CID2307898
Molecular FormulaC29H33NO
Molecular Weight411.59 g/mol
Exact Mass411.26
IUPAC Name(4-tert-butylphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)cc1
InChIInChI=1S/C29H33NO/c1-27(2,3)22-18-16-21(17-19-22)26(31)30-25-15-11-10-14-24(25)29(6,20-28(30,4)5)23-12-8-7-9-13-23/h7-19H,20H2,1-6H3/t29-/m1/s1
InChIKeyGAMWTXDYUIIURJ-GDLZYMKVSA-N
XLogP7.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.59
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-phenylmethanone
CID 3124468
(3,5-dimethoxyphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone
CID 1344914
[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-(4-fluorophenyl)methanone
CID 3721009
N-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinoline-1-carbothioyl]benzamide
CID 7313086
furan-2-yl-[(4S)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone
CID 672092
(7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone
CID 3742453
(4-aminophenyl)-(7-chloro-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone
CID 23793476
1-[2-oxo-2-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 1224796
2-(4-methylpiperazin-1-yl)-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone
CID 3761008
2-morpholin-4-yl-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone
CID 2864971
1,3-benzodioxol-5-yl-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone
CID 3710122
(4-methylphenyl)-[2,2,4-trimethyl-6-[2,2,4-trimethyl-1-(4-methylbenzoyl)-3H-quinolin-4-yl]quinolin-1-yl]methanone
CID 3094902

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone (CID 2307898) is (4-tert-butylphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone is CC(C)(C)c1ccc(C(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)cc1.
What is the InChIKey of (4-tert-butylphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone?
The InChIKey is GAMWTXDYUIIURJ-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H33NO/c1-27(2,3)22-18-16-21(17-19-22)26(31)30-25-15-11-10-14-24(25)29(6,20-28(30,4)5)23-12-8-7-9-13-23/h7-19H,20H2,1-6H3/t29-/m1/s1.
What are the key properties of (4-tert-butylphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone?
(4-tert-butylphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone has a molecular weight of 411.59 g/mol, XLogP of 7.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone is sourced from PubChem (CID 2307898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).