(4R)-4-phenyl-1-propan-2-yl-3,4-dihydroquinazolin-2-one

C17H18N2O — CID 124507823

IUPAC(4R)-4-phenyl-1-propan-2-yl-3,4-dihydroquinazolin-2-one
SMILESCC(C)N1C(=O)N[C@H](c2ccccc2)c2ccccc21
InChIInChI=1S/C17H18N2O/c1-12(2)19-15-11-7-6-10-14(15)16(18-17(19)20)13-8-4-3-5-9-13/h3-12,16H,1-2H3,(H,18,20)/t16-/m1/s1
InChIKeyYMWJHBFRZFRFNZ-MRXNPFEDSA-N
MW266.34 g/mol
LogP3.71
Rot. Bonds2

About (4R)-4-phenyl-1-propan-2-yl-3,4-dihydroquinazolin-2-one

(4R)-4-phenyl-1-propan-2-yl-3,4-dihydroquinazolin-2-one (PubChem CID 124507823) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (4R)-4-phenyl-1-propan-2-yl-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name(4R)-4-phenyl-1-propan-2-yl-3,4-dihydroquinazolin-2-one
PubChem CID124507823
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(4R)-4-phenyl-1-propan-2-yl-3,4-dihydroquinazolin-2-one
SMILESCC(C)N1C(=O)N[C@H](c2ccccc2)c2ccccc21
InChIInChI=1S/C17H18N2O/c1-12(2)19-15-11-7-6-10-14(15)16(18-17(19)20)13-8-4-3-5-9-13/h3-12,16H,1-2H3,(H,18,20)/t16-/m1/s1
InChIKeyYMWJHBFRZFRFNZ-MRXNPFEDSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-phenyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 82157135
6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione
CID 59370437
4-phenyl-1-piperidin-4-yl-3,4-dihydroquinazolin-2-one
CID 19423615
7-methoxy-4-phenyl-1-propan-2-yl-3,4-dihydroquinazoline-2-thione
CID 154133594
5-propan-2-yl-8-pyridin-3-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one
CID 23505650
ethane;propane;5-propan-2-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one
CID 162282668
3-(2-methylpropyl)-5-phenylimidazolidine-2,4-dione
CID 84571226
1-propan-2-yl-3,4-dihydroquinazolin-2-one
CID 58860770
3-phenyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64883939
2-phenyl-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
CID 886752
8-(3,4-dichlorophenyl)-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one
CID 12789472
1-methyl-5-propan-2-yl-1,3,5-benzotriazepine-2,4-dione
CID 141365224

Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-1-propan-2-yl-3,4-dihydroquinazolin-2-one?
The IUPAC name of (4R)-4-phenyl-1-propan-2-yl-3,4-dihydroquinazolin-2-one (CID 124507823) is (4R)-4-phenyl-1-propan-2-yl-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for (4R)-4-phenyl-1-propan-2-yl-3,4-dihydroquinazolin-2-one?
The canonical SMILES for (4R)-4-phenyl-1-propan-2-yl-3,4-dihydroquinazolin-2-one is CC(C)N1C(=O)N[C@H](c2ccccc2)c2ccccc21.
What is the InChIKey of (4R)-4-phenyl-1-propan-2-yl-3,4-dihydroquinazolin-2-one?
The InChIKey is YMWJHBFRZFRFNZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12(2)19-15-11-7-6-10-14(15)16(18-17(19)20)13-8-4-3-5-9-13/h3-12,16H,1-2H3,(H,18,20)/t16-/m1/s1.
What are the key properties of (4R)-4-phenyl-1-propan-2-yl-3,4-dihydroquinazolin-2-one?
(4R)-4-phenyl-1-propan-2-yl-3,4-dihydroquinazolin-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-1-propan-2-yl-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 124507823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).