2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one

C26H27N3O3 — CID 2887959

IUPAC2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2c2ccccc2)cc1CN1CCOCC1
InChIInChI=1S/C26H27N3O3/c1-31-24-12-11-19(17-20(24)18-28-13-15-32-16-14-28)25-27-23-10-6-5-9-22(23)26(30)29(25)21-7-3-2-4-8-21/h2-12,17,25,27H,13-16,18H2,1H3
InChIKeyBGVAWLOHHDAECK-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.30
Rot. Bonds5

About 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one

2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 2887959) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID2887959
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2c2ccccc2)cc1CN1CCOCC1
InChIInChI=1S/C26H27N3O3/c1-31-24-12-11-19(17-20(24)18-28-13-15-32-16-14-28)25-27-23-10-6-5-9-22(23)26(30)29(25)21-7-3-2-4-8-21/h2-12,17,25,27H,13-16,18H2,1H3
InChIKeyBGVAWLOHHDAECK-UHFFFAOYSA-N
XLogP4.30
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenyl-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

1,2-Dihydro-2-(4-methoxyphenyl)-4(3H)-quinazolinone
CID 484118
3-[(2-Methoxyphenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one
CID 866360
2-(3-(Benzyloxy)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 300572
2-(2-ethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 292560
N-[4-[[5-[5-hydroxy-4-oxo-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide
CID 25246343
3-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-2,4(1H,3H)-quinazolinedione
CID 122065
4-Methoxy-N-[2-(morpholine-4-carbonyl)-phenyl]-benzamide
CID 727270
6-fluoro-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 4191572
N-[4-[[5-[3-(furan-2-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide
CID 661788
4-butoxy-N-(2-(4-methoxy-phenyl)-4-oxo-1,4-dihydro-2H-quinazolin-3-yl)-benzamide
CID 11751175
4-(1-benzyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 15989301
3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1H-quinazoline-2,4-dione
CID 44298664

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one (CID 2887959) is 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one is COc1ccc(C2Nc3ccccc3C(=O)N2c2ccccc2)cc1CN1CCOCC1.
What is the InChIKey of 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is BGVAWLOHHDAECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-31-24-12-11-19(17-20(24)18-28-13-15-32-16-14-28)25-27-23-10-6-5-9-22(23)26(30)29(25)21-7-3-2-4-8-21/h2-12,17,25,27H,13-16,18H2,1H3.
What are the key properties of 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one?
2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 429.52 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2887959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).