3-(3-methoxyphenyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one

C27H25N3O3 — CID 98243178

IUPAC3-(3-methoxyphenyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one
SMILESCOc1cccc(-n2c(C[C@H]3C(=O)N(C(C)C)c4ccccc43)nc3ccccc3c2=O)c1
InChIInChI=1S/C27H25N3O3/c1-17(2)29-24-14-7-5-11-20(24)22(27(29)32)16-25-28-23-13-6-4-12-21(23)26(31)30(25)18-9-8-10-19(15-18)33-3/h4-15,17,22H,16H2,1-3H3/t22-/m1/s1
InChIKeyCXGLOKHZPJFHEU-JOCHJYFZSA-N
MW439.52 g/mol
LogP4.48
Rot. Bonds5

About 3-(3-methoxyphenyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one

3-(3-methoxyphenyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one (PubChem CID 98243178) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one
PubChem CID98243178
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name3-(3-methoxyphenyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one
SMILESCOc1cccc(-n2c(C[C@H]3C(=O)N(C(C)C)c4ccccc43)nc3ccccc3c2=O)c1
InChIInChI=1S/C27H25N3O3/c1-17(2)29-24-14-7-5-11-20(24)22(27(29)32)16-25-28-23-13-6-4-12-21(23)26(31)30(25)18-9-8-10-19(15-18)33-3/h4-15,17,22H,16H2,1-3H3/t22-/m1/s1
InChIKeyCXGLOKHZPJFHEU-JOCHJYFZSA-N
XLogP4.48
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3-methoxyphenyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-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

2-[[(3R)-1-methyl-2-oxo-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one
CID 51563740
2-[(1-methyl-2-oxo-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one
CID 2862988
2-[[(3S)-5-methyl-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]-3-(2-methylphenyl)quinazolin-4-one
CID 95060054
3-(3-hydroxypropyl)-2-[(2-oxo-1-propan-2-yl-3H-indol-3-yl)methyl]quinazolin-4-one
CID 20896475
3-(3-hydroxypropyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one
CID 98221985
2-[[(3R)-5-bromo-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]-3-ethylquinazolin-4-one
CID 98221961
3-(4-bromophenyl)-2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]quinazolin-4-one
CID 23606635
2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one
CID 714917
3-(3-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 8921562
2-[[(3S)-5-bromo-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one
CID 98215350
2-[[(3R)-5-bromo-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one
CID 40966610
2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one
CID 1130557

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one?
The IUPAC name of 3-(3-methoxyphenyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one (CID 98243178) is 3-(3-methoxyphenyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one?
The canonical SMILES for 3-(3-methoxyphenyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one is COc1cccc(-n2c(C[C@H]3C(=O)N(C(C)C)c4ccccc43)nc3ccccc3c2=O)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one?
The InChIKey is CXGLOKHZPJFHEU-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-17(2)29-24-14-7-5-11-20(24)22(27(29)32)16-25-28-23-13-6-4-12-21(23)26(31)30(25)18-9-8-10-19(15-18)33-3/h4-15,17,22H,16H2,1-3H3/t22-/m1/s1.
What are the key properties of 3-(3-methoxyphenyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one?
3-(3-methoxyphenyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one has a molecular weight of 439.52 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 98243178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).