methyl 3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate

C21H21N3O3 — CID 122174668

IUPACmethyl 3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(=O)n(-c3ccc(C)cc3)c(N3CCCC3)nc2c1
InChIInChI=1S/C21H21N3O3/c1-14-5-8-16(9-6-14)24-19(25)17-10-7-15(20(26)27-2)13-18(17)22-21(24)23-11-3-4-12-23/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyOSWWIAFXCLLGIC-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.08
Rot. Bonds3

About methyl 3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate

methyl 3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate (PubChem CID 122174668) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is methyl 3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate
PubChem CID122174668
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Namemethyl 3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(=O)n(-c3ccc(C)cc3)c(N3CCCC3)nc2c1
InChIInChI=1S/C21H21N3O3/c1-14-5-8-16(9-6-14)24-19(25)17-10-7-15(20(26)27-2)13-18(17)22-21(24)23-11-3-4-12-23/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyOSWWIAFXCLLGIC-UHFFFAOYSA-N
XLogP3.08
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(4-chlorophenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate
CID 50840907
methyl 3-(4-chlorophenyl)-4-oxo-2-piperidin-1-ylquinazoline-7-carboxylate
CID 50840933
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenyl)-4-oxoquinazoline-7-carboxylate
CID 53200367
methyl 2-(azepan-1-yl)-3-(3-chlorophenyl)-4-oxoquinazoline-7-carboxylate
CID 53200410
methyl 2-morpholin-4-yl-4-oxo-3-phenylquinazoline-7-carboxylate
CID 22425302
3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 50761136
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 50761064
N-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 50761101
methyl 3-(3,4-dimethylphenyl)-4-oxo-2-(1,3-thiazolidin-3-yl)quinazoline-7-carboxylate
CID 53200366
methyl 3-(3,5-dimethoxyphenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate
CID 53200436
3-(4-methylphenyl)-4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 95063766
3-(4-methylphenyl)-4-oxo-N-(1-pyridin-3-ylethyl)-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052384

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate?
The IUPAC name of methyl 3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate (CID 122174668) is methyl 3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate.
What is the SMILES notation for methyl 3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate?
The canonical SMILES for methyl 3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate is COC(=O)c1ccc2c(=O)n(-c3ccc(C)cc3)c(N3CCCC3)nc2c1.
What is the InChIKey of methyl 3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate?
The InChIKey is OSWWIAFXCLLGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-5-8-16(9-6-14)24-19(25)17-10-7-15(20(26)27-2)13-18(17)22-21(24)23-11-3-4-12-23/h5-10,13H,3-4,11-12H2,1-2H3.
What are the key properties of methyl 3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate?
methyl 3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate has a molecular weight of 363.42 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate is sourced from PubChem (CID 122174668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).