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

C20H18ClN3O3 — CID 50840907

IUPACmethyl 3-(4-chlorophenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(=O)n(-c3ccc(Cl)cc3)c(N3CCCC3)nc2c1
InChIInChI=1S/C20H18ClN3O3/c1-27-19(26)13-4-9-16-17(12-13)22-20(23-10-2-3-11-23)24(18(16)25)15-7-5-14(21)6-8-15/h4-9,12H,2-3,10-11H2,1H3
InChIKeyUYRJBICRZLRKRL-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.43
Rot. Bonds3

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

methyl 3-(4-chlorophenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate (PubChem CID 50840907) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is methyl 3-(4-chlorophenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-chlorophenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate
PubChem CID50840907
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Namemethyl 3-(4-chlorophenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(=O)n(-c3ccc(Cl)cc3)c(N3CCCC3)nc2c1
InChIInChI=1S/C20H18ClN3O3/c1-27-19(26)13-4-9-16-17(12-13)22-20(23-10-2-3-11-23)24(18(16)25)15-7-5-14(21)6-8-15/h4-9,12H,2-3,10-11H2,1H3
InChIKeyUYRJBICRZLRKRL-UHFFFAOYSA-N
XLogP3.43
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(4-chlorophenyl)-4-oxo-2-piperidin-1-ylquinazoline-7-carboxylate
CID 50840933
methyl 3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate
CID 122174668
methyl 2-(azepan-1-yl)-3-(3-chlorophenyl)-4-oxoquinazoline-7-carboxylate
CID 53200410
methyl 3-(3-chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate
CID 53200408
methyl 3-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)-4-oxoquinazoline-7-carboxylate
CID 53200415
methyl 2-morpholin-4-yl-4-oxo-3-phenylquinazoline-7-carboxylate
CID 22425302
methyl 3-(3,5-dimethoxyphenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate
CID 53200436
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenyl)-4-oxoquinazoline-7-carboxylate
CID 53200367
methyl 3-(3,4-dimethylphenyl)-4-oxo-2-(1,3-thiazolidin-3-yl)quinazoline-7-carboxylate
CID 53200366
N-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 50761101
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 50761064
3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 50761136

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-chlorophenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate?
The IUPAC name of methyl 3-(4-chlorophenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate (CID 50840907) is methyl 3-(4-chlorophenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate.
What is the SMILES notation for methyl 3-(4-chlorophenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate?
The canonical SMILES for methyl 3-(4-chlorophenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate is COC(=O)c1ccc2c(=O)n(-c3ccc(Cl)cc3)c(N3CCCC3)nc2c1.
What is the InChIKey of methyl 3-(4-chlorophenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate?
The InChIKey is UYRJBICRZLRKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-27-19(26)13-4-9-16-17(12-13)22-20(23-10-2-3-11-23)24(18(16)25)15-7-5-14(21)6-8-15/h4-9,12H,2-3,10-11H2,1H3.
What are the key properties of methyl 3-(4-chlorophenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate?
methyl 3-(4-chlorophenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate has a molecular weight of 383.84 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-chlorophenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate is sourced from PubChem (CID 50840907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).