1-[(3S)-3-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-3-(4-chlorophenyl)urea

C20H19ClN6O2 — CID 70072328

IUPAC1-[(3S)-3-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-3-(4-chlorophenyl)urea
SMILESNc1ncnc2cc(C[C@]3(NC(=O)Nc4ccc(Cl)cc4)CCNC3=O)ccc12
InChIInChI=1S/C20H19ClN6O2/c21-13-2-4-14(5-3-13)26-19(29)27-20(7-8-23-18(20)28)10-12-1-6-15-16(9-12)24-11-25-17(15)22/h1-6,9,11H,7-8,10H2,(H,23,28)(H2,22,24,25)(H2,26,27,29)/t20-/m1/s1
InChIKeyXQZZUJVOJJSZQF-HXUWFJFHSA-N
MW410.87 g/mol
LogP2.49
Rot. Bonds4

About 1-[(3S)-3-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-3-(4-chlorophenyl)urea

1-[(3S)-3-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-3-(4-chlorophenyl)urea (PubChem CID 70072328) has the molecular formula C20H19ClN6O2 and a molecular weight of 410.87 g/mol. Its IUPAC name is 1-[(3S)-3-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[(3S)-3-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-3-(4-chlorophenyl)urea
PubChem CID70072328
Molecular FormulaC20H19ClN6O2
Molecular Weight410.87 g/mol
Exact Mass410.13
IUPAC Name1-[(3S)-3-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-3-(4-chlorophenyl)urea
SMILESNc1ncnc2cc(C[C@]3(NC(=O)Nc4ccc(Cl)cc4)CCNC3=O)ccc12
InChIInChI=1S/C20H19ClN6O2/c21-13-2-4-14(5-3-13)26-19(29)27-20(7-8-23-18(20)28)10-12-1-6-15-16(9-12)24-11-25-17(15)22/h1-6,9,11H,7-8,10H2,(H,23,28)(H2,22,24,25)(H2,26,27,29)/t20-/m1/s1
InChIKeyXQZZUJVOJJSZQF-HXUWFJFHSA-N
XLogP2.49
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.87
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-[(3S)-3-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-3-(4-chlorophenyl)urea 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

methyl 2-[[(3S)-3-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-[(5-chlorothiophen-2-yl)carbamoyl]amino]acetate;2,2,2-trifluoroacetic acid
CID 70071109
4-[2-(4-aminoquinazolin-7-yl)ethyl]-N-(4-bromophenyl)-3-oxopiperazine-1-carboxamide
CID 67109328
[4-[[(7-chloroquinazolin-4-yl)amino]methyl]phenyl]urea
CID 86917015
7-[[4-[3-(4-chlorophenyl)prop-2-ynyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 174415094
2-[(2S)-1-[(4-aminoquinazolin-7-yl)methyl]-4-[(5-chloro-1H-indol-2-yl)methyl]-6-oxopiperazin-2-yl]acetic acid
CID 67014804
4-[(3-acetyl-5-chloro-1H-indol-2-yl)methyl]-1-[(4-aminoquinazolin-7-yl)methyl]piperazin-2-one
CID 67014204
1-[(4-aminoquinazolin-7-yl)methyl]-4-[2-(4-chlorophenoxy)ethyl]piperazin-2-one
CID 54455575
(2S)-2-amino-3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]propanoic acid
CID 130323263
2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid
CID 64672747
tert-butyl N-[(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]carbamate
CID 70070961
(4-aminoquinazolin-7-yl)-(3-ethyl-3-phenylazetidin-1-yl)methanone
CID 167882908
methyl 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(5-chloro-1H-indol-2-yl)methyl]-6-oxopiperazine-2-carboxylate
CID 67108957

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[(3S)-3-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-3-(4-chlorophenyl)urea (CID 70072328) is 1-[(3S)-3-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[(3S)-3-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[(3S)-3-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-3-(4-chlorophenyl)urea is Nc1ncnc2cc(C[C@]3(NC(=O)Nc4ccc(Cl)cc4)CCNC3=O)ccc12.
What is the InChIKey of 1-[(3S)-3-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-3-(4-chlorophenyl)urea?
The InChIKey is XQZZUJVOJJSZQF-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19ClN6O2/c21-13-2-4-14(5-3-13)26-19(29)27-20(7-8-23-18(20)28)10-12-1-6-15-16(9-12)24-11-25-17(15)22/h1-6,9,11H,7-8,10H2,(H,23,28)(H2,22,24,25)(H2,26,27,29)/t20-/m1/s1.
What are the key properties of 1-[(3S)-3-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-3-(4-chlorophenyl)urea?
1-[(3S)-3-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-3-(4-chlorophenyl)urea has a molecular weight of 410.87 g/mol, XLogP of 2.49, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 70072328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).