(4S)-4-(4-phenylphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one

C25H19NO — CID 1268646

IUPAC(4S)-4-(4-phenylphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESO=C1C[C@@H](c2ccc(-c3ccccc3)cc2)c2ccc3ccccc3c2N1
InChIInChI=1S/C25H19NO/c27-24-16-23(20-12-10-18(11-13-20)17-6-2-1-3-7-17)22-15-14-19-8-4-5-9-21(19)25(22)26-24/h1-15,23H,16H2,(H,26,27)/t23-/m0/s1
InChIKeyVGNGRYYHNUHGSB-QHCPKHFHSA-N
MW349.43 g/mol
LogP5.98
Rot. Bonds2

About (4S)-4-(4-phenylphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one

(4S)-4-(4-phenylphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (PubChem CID 1268646) has the molecular formula C25H19NO and a molecular weight of 349.43 g/mol. Its IUPAC name is (4S)-4-(4-phenylphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.

Molecular Properties

Compound Name(4S)-4-(4-phenylphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
PubChem CID1268646
Molecular FormulaC25H19NO
Molecular Weight349.43 g/mol
Exact Mass349.15
IUPAC Name(4S)-4-(4-phenylphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESO=C1C[C@@H](c2ccc(-c3ccccc3)cc2)c2ccc3ccccc3c2N1
InChIInChI=1S/C25H19NO/c27-24-16-23(20-12-10-18(11-13-20)17-6-2-1-3-7-17)22-15-14-19-8-4-5-9-21(19)25(22)26-24/h1-15,23H,16H2,(H,26,27)/t23-/m0/s1
InChIKeyVGNGRYYHNUHGSB-QHCPKHFHSA-N
XLogP5.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-naphthalen-2-yl-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2879509
4-(3-hydroxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2992745
methyl 4-[(4S)-2-oxo-3,4-dihydro-1H-benzo[h]quinolin-4-yl]benzoate
CID 803008
4-(3-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 633987
4-(3-phenoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 3115454
4-[2-(difluoromethyl)phenyl]-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 143519900
(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 1117589
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 721560
4-(3-chloro-2-fluorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 59140319
[2,6-dimethoxy-4-[(4S)-2-oxo-3,4-dihydro-1H-benzo[h]quinolin-4-yl]phenyl] acetate
CID 1123360
4-(3-chloro-4-hydroxy-5-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2882925
1-(4-fluorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2933284

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-phenylphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The IUPAC name of (4S)-4-(4-phenylphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (CID 1268646) is (4S)-4-(4-phenylphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.
What is the SMILES notation for (4S)-4-(4-phenylphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The canonical SMILES for (4S)-4-(4-phenylphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is O=C1C[C@@H](c2ccc(-c3ccccc3)cc2)c2ccc3ccccc3c2N1.
What is the InChIKey of (4S)-4-(4-phenylphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The InChIKey is VGNGRYYHNUHGSB-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H19NO/c27-24-16-23(20-12-10-18(11-13-20)17-6-2-1-3-7-17)22-15-14-19-8-4-5-9-21(19)25(22)26-24/h1-15,23H,16H2,(H,26,27)/t23-/m0/s1.
What are the key properties of (4S)-4-(4-phenylphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
(4S)-4-(4-phenylphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one has a molecular weight of 349.43 g/mol, XLogP of 5.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-phenylphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is sourced from PubChem (CID 1268646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).