(1S)-1-phenyl-2,4-dihydro-1H-benzo[f]quinazolin-3-one

C18H14N2O — CID 6936217

IUPAC(1S)-1-phenyl-2,4-dihydro-1H-benzo[f]quinazolin-3-one
SMILESO=C1Nc2ccc3ccccc3c2[C@H](c2ccccc2)N1
InChIInChI=1S/C18H14N2O/c21-18-19-15-11-10-12-6-4-5-9-14(12)16(15)17(20-18)13-7-2-1-3-8-13/h1-11,17H,(H2,19,20,21)/t17-/m0/s1
InChIKeyRRHGXVHHJNHTMD-KRWDZBQOSA-N
MW274.32 g/mol
LogP4.06
Rot. Bonds1

About (1S)-1-phenyl-2,4-dihydro-1H-benzo[f]quinazolin-3-one

(1S)-1-phenyl-2,4-dihydro-1H-benzo[f]quinazolin-3-one (PubChem CID 6936217) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is (1S)-1-phenyl-2,4-dihydro-1H-benzo[f]quinazolin-3-one.

Molecular Properties

Compound Name(1S)-1-phenyl-2,4-dihydro-1H-benzo[f]quinazolin-3-one
PubChem CID6936217
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name(1S)-1-phenyl-2,4-dihydro-1H-benzo[f]quinazolin-3-one
SMILESO=C1Nc2ccc3ccccc3c2[C@H](c2ccccc2)N1
InChIInChI=1S/C18H14N2O/c21-18-19-15-11-10-12-6-4-5-9-14(12)16(15)17(20-18)13-7-2-1-3-8-13/h1-11,17H,(H2,19,20,21)/t17-/m0/s1
InChIKeyRRHGXVHHJNHTMD-KRWDZBQOSA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-phenyl-(411C)1,3-diazolidine-2,4-dione
CID 90678716
2,14-diazapentacyclo[14.8.0.04,13.05,10.017,22]tetracosa-1(16),4(13),5,7,9,11,17,19,21,23-decaene-3,15-dione
CID 170859547
1-(4-fluorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2933284
5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 58398991
3,3-dimethyl-1-phenyl-1,2-dihydrobenzo[f][1,3]benzoxazine
CID 73001495
(1R,1'R)-1,1'-diphenyl-3,3'-spirobi[1,2-dihydrobenzo[f][1,3,2]benzoxazaphosphinin-3-ium]
CID 164677123
(5R)-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 94042985
(4S)-4,6-diphenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 7745751
1-(3-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2857782
(1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2231068
(1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 673087
5-(4-phenylphenyl)imidazolidine-2,4-dione
CID 16788632

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-2,4-dihydro-1H-benzo[f]quinazolin-3-one?
The IUPAC name of (1S)-1-phenyl-2,4-dihydro-1H-benzo[f]quinazolin-3-one (CID 6936217) is (1S)-1-phenyl-2,4-dihydro-1H-benzo[f]quinazolin-3-one.
What is the SMILES notation for (1S)-1-phenyl-2,4-dihydro-1H-benzo[f]quinazolin-3-one?
The canonical SMILES for (1S)-1-phenyl-2,4-dihydro-1H-benzo[f]quinazolin-3-one is O=C1Nc2ccc3ccccc3c2[C@H](c2ccccc2)N1.
What is the InChIKey of (1S)-1-phenyl-2,4-dihydro-1H-benzo[f]quinazolin-3-one?
The InChIKey is RRHGXVHHJNHTMD-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H14N2O/c21-18-19-15-11-10-12-6-4-5-9-14(12)16(15)17(20-18)13-7-2-1-3-8-13/h1-11,17H,(H2,19,20,21)/t17-/m0/s1.
What are the key properties of (1S)-1-phenyl-2,4-dihydro-1H-benzo[f]quinazolin-3-one?
(1S)-1-phenyl-2,4-dihydro-1H-benzo[f]quinazolin-3-one has a molecular weight of 274.32 g/mol, XLogP of 4.06, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-2,4-dihydro-1H-benzo[f]quinazolin-3-one is sourced from PubChem (CID 6936217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).