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

C21H26N2O3 — CID 9009105

IUPAC(2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCOc1cc([C@H]2Nc3ccccc3C(=O)N2CCC)ccc1OC
InChIInChI=1S/C21H26N2O3/c1-4-12-23-20(22-17-9-7-6-8-16(17)21(23)24)15-10-11-18(25-3)19(14-15)26-13-5-2/h6-11,14,20,22H,4-5,12-13H2,1-3H3/t20-/m0/s1
InChIKeyISNJCCDNRSAWGI-FQEVSTJZSA-N
MW354.45 g/mol
LogP4.46
Rot. Bonds7

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

(2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one (PubChem CID 9009105) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
PubChem CID9009105
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCOc1cc([C@H]2Nc3ccccc3C(=O)N2CCC)ccc1OC
InChIInChI=1S/C21H26N2O3/c1-4-12-23-20(22-17-9-7-6-8-16(17)21(23)24)15-10-11-18(25-3)19(14-15)26-13-5-2/h6-11,14,20,22H,4-5,12-13H2,1-3H3/t20-/m0/s1
InChIKeyISNJCCDNRSAWGI-FQEVSTJZSA-N
XLogP4.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 743586
(2S)-3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1131631
N-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 9009141
2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 54779981
(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 720958
2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 23819494
2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 51172490
2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 54778229
3-butyl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778948
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
CID 54779965
2-(4-methoxy-3-propoxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 110538069
2-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 23767549

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one (CID 9009105) is (2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one is CCCOc1cc([C@H]2Nc3ccccc3C(=O)N2CCC)ccc1OC.
What is the InChIKey of (2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The InChIKey is ISNJCCDNRSAWGI-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-12-23-20(22-17-9-7-6-8-16(17)21(23)24)15-10-11-18(25-3)19(14-15)26-13-5-2/h6-11,14,20,22H,4-5,12-13H2,1-3H3/t20-/m0/s1.
What are the key properties of (2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
(2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one has a molecular weight of 354.45 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9009105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).