N-(4-oxo-2-piperazin-1-yl-3H-quinazolin-6-yl)propanamide;hydrochloride

C15H20ClN5O2 — CID 137175047

IUPACN-(4-oxo-2-piperazin-1-yl-3H-quinazolin-6-yl)propanamide;hydrochloride
SMILESCCC(=O)Nc1ccc2nc(N3CCNCC3)[nH]c(=O)c2c1.Cl
InChIInChI=1S/C15H19N5O2.ClH/c1-2-13(21)17-10-3-4-12-11(9-10)14(22)19-15(18-12)20-7-5-16-6-8-20;/h3-4,9,16H,2,5-8H2,1H3,(H,17,21)(H,18,19,22);1H
InChIKeyOSZIHECECVSBHP-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.10
Rot. Bonds3

About N-(4-oxo-2-piperazin-1-yl-3H-quinazolin-6-yl)propanamide;hydrochloride

N-(4-oxo-2-piperazin-1-yl-3H-quinazolin-6-yl)propanamide;hydrochloride (PubChem CID 137175047) has the molecular formula C15H20ClN5O2 and a molecular weight of 337.81 g/mol. Its IUPAC name is N-(4-oxo-2-piperazin-1-yl-3H-quinazolin-6-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-oxo-2-piperazin-1-yl-3H-quinazolin-6-yl)propanamide;hydrochloride
PubChem CID137175047
Molecular FormulaC15H20ClN5O2
Molecular Weight337.81 g/mol
Exact Mass337.13
IUPAC NameN-(4-oxo-2-piperazin-1-yl-3H-quinazolin-6-yl)propanamide;hydrochloride
SMILESCCC(=O)Nc1ccc2nc(N3CCNCC3)[nH]c(=O)c2c1.Cl
InChIInChI=1S/C15H19N5O2.ClH/c1-2-13(21)17-10-3-4-12-11(9-10)14(22)19-15(18-12)20-7-5-16-6-8-20;/h3-4,9,16H,2,5-8H2,1H3,(H,17,21)(H,18,19,22);1H
InChIKeyOSZIHECECVSBHP-UHFFFAOYSA-N
XLogP1.10
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-2-piperazin-1-yl-3H-quinazolin-6-yl)propanamide;hydrochloride?
The IUPAC name of N-(4-oxo-2-piperazin-1-yl-3H-quinazolin-6-yl)propanamide;hydrochloride (CID 137175047) is N-(4-oxo-2-piperazin-1-yl-3H-quinazolin-6-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(4-oxo-2-piperazin-1-yl-3H-quinazolin-6-yl)propanamide;hydrochloride?
The canonical SMILES for N-(4-oxo-2-piperazin-1-yl-3H-quinazolin-6-yl)propanamide;hydrochloride is CCC(=O)Nc1ccc2nc(N3CCNCC3)[nH]c(=O)c2c1.Cl.
What is the InChIKey of N-(4-oxo-2-piperazin-1-yl-3H-quinazolin-6-yl)propanamide;hydrochloride?
The InChIKey is OSZIHECECVSBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2.ClH/c1-2-13(21)17-10-3-4-12-11(9-10)14(22)19-15(18-12)20-7-5-16-6-8-20;/h3-4,9,16H,2,5-8H2,1H3,(H,17,21)(H,18,19,22);1H.
What are the key properties of N-(4-oxo-2-piperazin-1-yl-3H-quinazolin-6-yl)propanamide;hydrochloride?
N-(4-oxo-2-piperazin-1-yl-3H-quinazolin-6-yl)propanamide;hydrochloride has a molecular weight of 337.81 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-2-piperazin-1-yl-3H-quinazolin-6-yl)propanamide;hydrochloride is sourced from PubChem (CID 137175047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).