(2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one

C18H20N2O — CID 40709314

IUPAC(2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2N[C@H]1c1ccccc1C
InChIInChI=1S/C18H20N2O/c1-3-12-20-17(14-9-5-4-8-13(14)2)19-16-11-7-6-10-15(16)18(20)21/h4-11,17,19H,3,12H2,1-2H3/t17-/m1/s1
InChIKeyRPEGTKVMJQVNSN-QGZVFWFLSA-N
MW280.37 g/mol
LogP3.97
Rot. Bonds3

About (2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one

(2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one (PubChem CID 40709314) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
PubChem CID40709314
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2N[C@H]1c1ccccc1C
InChIInChI=1S/C18H20N2O/c1-3-12-20-17(14-9-5-4-8-13(14)2)19-16-11-7-6-10-15(16)18(20)21/h4-11,17,19H,3,12H2,1-2H3/t17-/m1/s1
InChIKeyRPEGTKVMJQVNSN-QGZVFWFLSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methoxypropyl)-2-(2-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 54778638
(2S)-2-(2-nitrophenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9012155
(2S)-2-(2,3-dimethoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009187
(2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009021
2-[2-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 54778169
(2R)-2-(3-ethoxy-2-hydroxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009018
(2S)-2-(2-oxo-1H-quinolin-3-yl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 35753156
3-propyl-2-(thiadiazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 47061151
2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 42915079
(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 720958
(2R)-2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009003
2-(2-butoxyphenyl)-3-butyl-1,2-dihydroquinazolin-4-one
CID 54778916

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one (CID 40709314) is (2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one is CCCN1C(=O)c2ccccc2N[C@H]1c1ccccc1C.
What is the InChIKey of (2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The InChIKey is RPEGTKVMJQVNSN-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-12-20-17(14-9-5-4-8-13(14)2)19-16-11-7-6-10-15(16)18(20)21/h4-11,17,19H,3,12H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
(2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one has a molecular weight of 280.37 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 40709314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).