N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide;hydrochloride

C17H23ClN4O3 — CID 119566493

IUPACN-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide;hydrochloride
SMILESCl.NCC1(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CCCC1
InChIInChI=1S/C17H22N4O3.ClH/c18-11-17(8-3-4-9-17)20-14(22)7-10-21-13-6-2-1-5-12(13)15(23)19-16(21)24;/h1-2,5-6H,3-4,7-11,18H2,(H,20,22)(H,19,23,24);1H
InChIKeyXURPKSBBOZFLDD-UHFFFAOYSA-N
MW366.85 g/mol
LogP0.89
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide;hydrochloride (PubChem CID 119566493) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide;hydrochloride
PubChem CID119566493
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide;hydrochloride
SMILESCl.NCC1(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CCCC1
InChIInChI=1S/C17H22N4O3.ClH/c18-11-17(8-3-4-9-17)20-14(22)7-10-21-13-6-2-1-5-12(13)15(23)19-16(21)24;/h1-2,5-6H,3-4,7-11,18H2,(H,20,22)(H,19,23,24);1H
InChIKeyXURPKSBBOZFLDD-UHFFFAOYSA-N
XLogP0.89
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide;hydrochloride (CID 119566493) is N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide;hydrochloride is Cl.NCC1(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide;hydrochloride?
The InChIKey is XURPKSBBOZFLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3.ClH/c18-11-17(8-3-4-9-17)20-14(22)7-10-21-13-6-2-1-5-12(13)15(23)19-16(21)24;/h1-2,5-6H,3-4,7-11,18H2,(H,20,22)(H,19,23,24);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 119566493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).