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

C18H20N2O2 — CID 51172490

IUPAC2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2NC1c1cccc(OC)c1
InChIInChI=1S/C18H20N2O2/c1-3-11-20-17(13-7-6-8-14(12-13)22-2)19-16-10-5-4-9-15(16)18(20)21/h4-10,12,17,19H,3,11H2,1-2H3
InChIKeyUDEIVDRZOCLYMR-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.67
Rot. Bonds4

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

2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one (PubChem CID 51172490) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
PubChem CID51172490
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2NC1c1cccc(OC)c1
InChIInChI=1S/C18H20N2O2/c1-3-11-20-17(13-7-6-8-14(12-13)22-2)19-16-10-5-4-9-15(16)18(20)21/h4-10,12,17,19H,3,11H2,1-2H3
InChIKeyUDEIVDRZOCLYMR-UHFFFAOYSA-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

(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 720958
3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 563542
(2S)-2-(3-methoxyphenyl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroquinazolin-4-one
CID 25351324
(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
2-(3-butoxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one
CID 54778071
(2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009105
3-ethyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54777988
(2S)-2-(3,4-dichlorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 875044
3-(2-methoxyethyl)-2-[3-(2-methylpropoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54779195
2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
CID 54778625
(2S)-2-(3,5-dimethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,2-dihydroquinazolin-4-one
CID 9007084

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one (CID 51172490) is 2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one is CCCN1C(=O)c2ccccc2NC1c1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The InChIKey is UDEIVDRZOCLYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-11-20-17(13-7-6-8-14(12-13)22-2)19-16-10-5-4-9-15(16)18(20)21/h4-10,12,17,19H,3,11H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
2-(3-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 2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 51172490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).