3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride

C18H26ClN5O2 — CID 119446827

IUPAC3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
SMILESCc1cccc2c(=O)n(CCC(=O)NCCN3CCNCC3)cnc12.Cl
InChIInChI=1S/C18H25N5O2.ClH/c1-14-3-2-4-15-17(14)21-13-23(18(15)25)9-5-16(24)20-8-12-22-10-6-19-7-11-22;/h2-4,13,19H,5-12H2,1H3,(H,20,24);1H
InChIKeyCBWNKHKNQXYSJO-UHFFFAOYSA-N
MW379.89 g/mol
LogP0.54
Rot. Bonds6

About 3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride

3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride (PubChem CID 119446827) has the molecular formula C18H26ClN5O2 and a molecular weight of 379.89 g/mol. Its IUPAC name is 3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
PubChem CID119446827
Molecular FormulaC18H26ClN5O2
Molecular Weight379.89 g/mol
Exact Mass379.18
IUPAC Name3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
SMILESCc1cccc2c(=O)n(CCC(=O)NCCN3CCNCC3)cnc12.Cl
InChIInChI=1S/C18H25N5O2.ClH/c1-14-3-2-4-15-17(14)21-13-23(18(15)25)9-5-16(24)20-8-12-22-10-6-19-7-11-22;/h2-4,13,19H,5-12H2,1H3,(H,20,24);1H
InChIKeyCBWNKHKNQXYSJO-UHFFFAOYSA-N
XLogP0.54
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 119448926
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CID 24559975
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide
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N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
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N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 42947647
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 55662614
N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 25326839
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The IUPAC name of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride (CID 119446827) is 3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The canonical SMILES for 3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride is Cc1cccc2c(=O)n(CCC(=O)NCCN3CCNCC3)cnc12.Cl.
What is the InChIKey of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The InChIKey is CBWNKHKNQXYSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2.ClH/c1-14-3-2-4-15-17(14)21-13-23(18(15)25)9-5-16(24)20-8-12-22-10-6-19-7-11-22;/h2-4,13,19H,5-12H2,1H3,(H,20,24);1H.
What are the key properties of 3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119446827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).