[1-[2-(2-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]pyrrolidin-3-yl]carbamic acid

C15H18ClN5O3 — CID 118578192

IUPAC[1-[2-(2-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]pyrrolidin-3-yl]carbamic acid
SMILESNCCc1nc2cccc(Cl)c2c(=O)n1N1CCC(NC(=O)O)C1
InChIInChI=1S/C15H18ClN5O3/c16-10-2-1-3-11-13(10)14(22)21(12(19-11)4-6-17)20-7-5-9(8-20)18-15(23)24/h1-3,9,18H,4-8,17H2,(H,23,24)
InChIKeyJEGKRMRYLHFDRQ-UHFFFAOYSA-N
MW351.79 g/mol
LogP0.53
Rot. Bonds4

About [1-[2-(2-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]pyrrolidin-3-yl]carbamic acid

[1-[2-(2-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]pyrrolidin-3-yl]carbamic acid (PubChem CID 118578192) has the molecular formula C15H18ClN5O3 and a molecular weight of 351.79 g/mol. Its IUPAC name is [1-[2-(2-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-[2-(2-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]pyrrolidin-3-yl]carbamic acid
PubChem CID118578192
Molecular FormulaC15H18ClN5O3
Molecular Weight351.79 g/mol
Exact Mass351.11
IUPAC Name[1-[2-(2-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]pyrrolidin-3-yl]carbamic acid
SMILESNCCc1nc2cccc(Cl)c2c(=O)n1N1CCC(NC(=O)O)C1
InChIInChI=1S/C15H18ClN5O3/c16-10-2-1-3-11-13(10)14(22)21(12(19-11)4-6-17)20-7-5-9(8-20)18-15(23)24/h1-3,9,18H,4-8,17H2,(H,23,24)
InChIKeyJEGKRMRYLHFDRQ-UHFFFAOYSA-N
XLogP0.53
TPSA113.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [1-[2-(2-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]pyrrolidin-3-yl]carbamic acid 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-[5-chloro-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-4-oxoquinazolin-3-yl]pyrrolidin-3-yl]carbamic acid
CID 118578130
tert-butyl 4-[2-(2-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]piperidine-1-carboxylate
CID 118578181
2-[5-chloro-3-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 118578358
3-(2-aminoethyl)-2,5-dichloroquinazolin-4-one
CID 117263724
2-(2,5-dichloro-4-oxoquinazolin-3-yl)acetic acid
CID 117263802
[(1S)-1-[5-chloro-4-oxo-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]quinazolin-2-yl]ethyl]carbamic acid
CID 118572369
[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid
CID 155341898
2-(1-aminoethyl)-5-chloro-3-[3-(trifluoromethyl)piperazin-1-yl]quinazolin-4-one
CID 174822041
2-(4-aminobutyl)-5-chloro-3-[(2E,4Z)-hepta-2,4-dien-3-yl]quinazolin-4-one
CID 134445876
2-[4-(5-chloro-4-oxo-1,2,3-benzotriazin-3-yl)phenyl]-N-cyclobutylacetamide
CID 11234003
[5-chloro-3-[3-fluoro-3-(hydroxymethyl)cyclobutyl]-4-oxoquinazolin-2-yl]carbamic acid
CID 175511948
[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]carbamic acid
CID 154457782

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [1-[2-(2-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]pyrrolidin-3-yl]carbamic acid (CID 118578192) is [1-[2-(2-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [1-[2-(2-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [1-[2-(2-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]pyrrolidin-3-yl]carbamic acid is NCCc1nc2cccc(Cl)c2c(=O)n1N1CCC(NC(=O)O)C1.
What is the InChIKey of [1-[2-(2-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]pyrrolidin-3-yl]carbamic acid?
The InChIKey is JEGKRMRYLHFDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O3/c16-10-2-1-3-11-13(10)14(22)21(12(19-11)4-6-17)20-7-5-9(8-20)18-15(23)24/h1-3,9,18H,4-8,17H2,(H,23,24).
What are the key properties of [1-[2-(2-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]pyrrolidin-3-yl]carbamic acid?
[1-[2-(2-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]pyrrolidin-3-yl]carbamic acid has a molecular weight of 351.79 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 118578192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).