(3,5-dimethoxyphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone

C27H29NO3 — CID 1344914

IUPAC(3,5-dimethoxyphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)c1
InChIInChI=1S/C27H29NO3/c1-26(2)18-27(3,20-11-7-6-8-12-20)23-13-9-10-14-24(23)28(26)25(29)19-15-21(30-4)17-22(16-19)31-5/h6-17H,18H2,1-5H3/t27-/m1/s1
InChIKeyGNSUNUXOEOLKBV-HHHXNRCGSA-N
MW415.53 g/mol
LogP5.84
Rot. Bonds4

About (3,5-dimethoxyphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone

(3,5-dimethoxyphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone (PubChem CID 1344914) has the molecular formula C27H29NO3 and a molecular weight of 415.53 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone
PubChem CID1344914
Molecular FormulaC27H29NO3
Molecular Weight415.53 g/mol
Exact Mass415.21
IUPAC Name(3,5-dimethoxyphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)c1
InChIInChI=1S/C27H29NO3/c1-26(2)18-27(3,20-11-7-6-8-12-20)23-13-9-10-14-24(23)28(26)25(29)19-15-21(30-4)17-22(16-19)31-5/h6-17H,18H2,1-5H3/t27-/m1/s1
InChIKeyGNSUNUXOEOLKBV-HHHXNRCGSA-N
XLogP5.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.53
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3,5-dimethoxyphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-tert-butylphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone
CID 2307898
furan-2-yl-[(4S)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone
CID 672092
2,2,2-trifluoro-1-[(4S)-4-(4-methoxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone
CID 1378073
[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
(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
(E)-3-(4-methoxyphenyl)-1-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]prop-2-en-1-one
CID 5340752
[(4R)-4-(4-ethoxyphenyl)-2,2,4,6-tetramethyl-3H-quinolin-1-yl]-phenylmethanone
CID 2721223
(E)-1-[(4R)-4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 7122740
1-[2-oxo-2-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 1224796
1-[(4S)-4-(4-bromophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone
CID 1068426

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone (CID 1344914) is (3,5-dimethoxyphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone is COc1cc(OC)cc(C(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone?
The InChIKey is GNSUNUXOEOLKBV-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H29NO3/c1-26(2)18-27(3,20-11-7-6-8-12-20)23-13-9-10-14-24(23)28(26)25(29)19-15-21(30-4)17-22(16-19)31-5/h6-17H,18H2,1-5H3/t27-/m1/s1.
What are the key properties of (3,5-dimethoxyphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone?
(3,5-dimethoxyphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone has a molecular weight of 415.53 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone is sourced from PubChem (CID 1344914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).