furan-2-yl-[(4S)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone

C23H23NO2 — CID 672092

IUPACfuran-2-yl-[(4S)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone
SMILESCC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccco1
InChIInChI=1S/C23H23NO2/c1-22(2)16-23(3,17-10-5-4-6-11-17)18-12-7-8-13-19(18)24(22)21(25)20-14-9-15-26-20/h4-15H,16H2,1-3H3/t23-/m0/s1
InChIKeyCZJGMXUGKIQDNL-QHCPKHFHSA-N
MW345.44 g/mol
LogP5.41
Rot. Bonds2

About furan-2-yl-[(4S)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone

furan-2-yl-[(4S)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone (PubChem CID 672092) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is furan-2-yl-[(4S)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[(4S)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone
PubChem CID672092
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Namefuran-2-yl-[(4S)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone
SMILESCC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccco1
InChIInChI=1S/C23H23NO2/c1-22(2)16-23(3,17-10-5-4-6-11-17)18-12-7-8-13-19(18)24(22)21(25)20-14-9-15-26-20/h4-15H,16H2,1-3H3/t23-/m0/s1
InChIKeyCZJGMXUGKIQDNL-QHCPKHFHSA-N
XLogP5.41
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethoxyphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone
CID 1344914
(4-tert-butylphenyl)-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone
CID 2307898
1-[2-oxo-2-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 1224796
N-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinoline-1-carbothioyl]benzamide
CID 7313086
1-[(4S)-4-(4-bromophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone
CID 1068426
(4S)-2,2,4-trimethyl-N-(4-nitrophenyl)-4-phenyl-3H-quinoline-1-carboxamide
CID 7316047
2,2,2-trifluoro-1-[(4S)-4-(4-methoxyphenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone
CID 1378073
(3aS,7aS)-2-[2-oxo-2-[(4S)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 6566493
2-[2-oxo-2-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2865968
(3aS,7aS)-2-[(2S)-1-oxo-1-[(4S)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]propan-2-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98342087
N-[1-(furan-2-carbonyl)-2,2-dimethyl-3,4-dihydroquinolin-4-yl]-N-phenylacetamide
CID 58859727
(7-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)-(4-methylphenyl)methanone
CID 3742453

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[(4S)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone?
The IUPAC name of furan-2-yl-[(4S)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone (CID 672092) is furan-2-yl-[(4S)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[(4S)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[(4S)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone is CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccco1.
What is the InChIKey of furan-2-yl-[(4S)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone?
The InChIKey is CZJGMXUGKIQDNL-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H23NO2/c1-22(2)16-23(3,17-10-5-4-6-11-17)18-12-7-8-13-19(18)24(22)21(25)20-14-9-15-26-20/h4-15H,16H2,1-3H3/t23-/m0/s1.
What are the key properties of furan-2-yl-[(4S)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone?
furan-2-yl-[(4S)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone has a molecular weight of 345.44 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[(4S)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]methanone is sourced from PubChem (CID 672092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).