(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one

C18H20N2O2 — CID 720958

IUPAC(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C18H20N2O2/c1-3-12-20-17(13-8-10-14(22-2)11-9-13)19-16-7-5-4-6-15(16)18(20)21/h4-11,17,19H,3,12H2,1-2H3/t17-/m0/s1
InChIKeyMBMUVLLITGREQV-KRWDZBQOSA-N
MW296.37 g/mol
LogP3.67
Rot. Bonds4

About (2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one

(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one (PubChem CID 720958) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
PubChem CID720958
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C18H20N2O2/c1-3-12-20-17(13-8-10-14(22-2)11-9-13)19-16-7-5-4-6-15(16)18(20)21/h4-11,17,19H,3,12H2,1-2H3/t17-/m0/s1
InChIKeyMBMUVLLITGREQV-KRWDZBQOSA-N
XLogP3.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 51172490
(2S)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,2-dihydroquinazolin-4-one
CID 41064218
2-[4-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 54778133
methyl 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate
CID 9008981
2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 42915079
(2R)-2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009003
methyl 2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetate
CID 784677
(2S)-3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1131631
(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 743586
3-(3-methoxypropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778728
4-[(2S)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 9007070
3-butyl-2-[4-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780096

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one (CID 720958) is (2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one is CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The InChIKey is MBMUVLLITGREQV-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-12-20-17(13-8-10-14(22-2)11-9-13)19-16-7-5-4-6-15(16)18(20)21/h4-11,17,19H,3,12H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one has a molecular weight of 296.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 720958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).