(2S)-2-butyl-3-phenyl-1,2-dihydroquinazolin-4-one

C18H20N2O — CID 125492546

IUPAC(2S)-2-butyl-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCCCC[C@H]1Nc2ccccc2C(=O)N1c1ccccc1
InChIInChI=1S/C18H20N2O/c1-2-3-13-17-19-16-12-8-7-11-15(16)18(21)20(17)14-9-5-4-6-10-14/h4-12,17,19H,2-3,13H2,1H3/t17-/m0/s1
InChIKeyRFZKFWIJMGKYSQ-KRWDZBQOSA-N
MW280.37 g/mol
LogP4.28
Rot. Bonds4

About (2S)-2-butyl-3-phenyl-1,2-dihydroquinazolin-4-one

(2S)-2-butyl-3-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 125492546) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (2S)-2-butyl-3-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-butyl-3-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID125492546
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(2S)-2-butyl-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCCCC[C@H]1Nc2ccccc2C(=O)N1c1ccccc1
InChIInChI=1S/C18H20N2O/c1-2-3-13-17-19-16-12-8-7-11-15(16)18(21)20(17)14-9-5-4-6-10-14/h4-12,17,19H,2-3,13H2,1H3/t17-/m0/s1
InChIKeyRFZKFWIJMGKYSQ-KRWDZBQOSA-N
XLogP4.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
CID 176687508
(2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 7659372
2-(3-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 71625422
2-(4-chlorophenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
CID 176687571
3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 3112058
(2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 9006944
(2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 7331947
(2R)-2-(4-methylsulfanylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 804192
3-(4-butylphenyl)-2-naphthalen-2-yl-1,2-dihydroquinazolin-4-one
CID 176687398
3-(4-butylphenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 176687363
3-(4-butylphenyl)-2-(3,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one
CID 176687506
(2R)-2-(3,5-dibromophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 125492451

Frequently Asked Questions

What is the IUPAC name of (2S)-2-butyl-3-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-butyl-3-phenyl-1,2-dihydroquinazolin-4-one (CID 125492546) is (2S)-2-butyl-3-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-butyl-3-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-butyl-3-phenyl-1,2-dihydroquinazolin-4-one is CCCC[C@H]1Nc2ccccc2C(=O)N1c1ccccc1.
What is the InChIKey of (2S)-2-butyl-3-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is RFZKFWIJMGKYSQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-3-13-17-19-16-12-8-7-11-15(16)18(21)20(17)14-9-5-4-6-10-14/h4-12,17,19H,2-3,13H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-2-butyl-3-phenyl-1,2-dihydroquinazolin-4-one?
(2S)-2-butyl-3-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 280.37 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-butyl-3-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 125492546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).