3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride

C17H22BrClN4O2 — CID 120602457

IUPAC3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
SMILESCC1CC(NC(=O)CCn2cnc3ccc(Br)cc3c2=O)CCN1.Cl
InChIInChI=1S/C17H21BrN4O2.ClH/c1-11-8-13(4-6-19-11)21-16(23)5-7-22-10-20-15-3-2-12(18)9-14(15)17(22)24;/h2-3,9-11,13,19H,4-8H2,1H3,(H,21,23);1H
InChIKeyNWQGWEZAHSNNLH-UHFFFAOYSA-N
MW429.75 g/mol
LogP2.23
Rot. Bonds4

About 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride

3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride (PubChem CID 120602457) has the molecular formula C17H22BrClN4O2 and a molecular weight of 429.75 g/mol. Its IUPAC name is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
PubChem CID120602457
Molecular FormulaC17H22BrClN4O2
Molecular Weight429.75 g/mol
Exact Mass428.06
IUPAC Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
SMILESCC1CC(NC(=O)CCn2cnc3ccc(Br)cc3c2=O)CCN1.Cl
InChIInChI=1S/C17H21BrN4O2.ClH/c1-11-8-13(4-6-19-11)21-16(23)5-7-22-10-20-15-3-2-12(18)9-14(15)17(22)24;/h2-3,9-11,13,19H,4-8H2,1H3,(H,21,23);1H
InChIKeyNWQGWEZAHSNNLH-UHFFFAOYSA-N
XLogP2.23
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.75
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120597912
6-bromo-3-[3-[(3R)-3-methylpiperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124620440
6-bromo-3-[3-[(3S)-3-methylpiperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124697383
2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546
N-(2-amino-1-cyclopropylethyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 119616697
6-bromo-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 42938979
N-[(2S)-1-aminopropan-2-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 120506243
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]propanamide
CID 55658756
6-bromo-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 31069717
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 51330900
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 24622431
3-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-6-bromoquinazolin-4-one;hydrochloride
CID 119376047

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
The IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride (CID 120602457) is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
The canonical SMILES for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride is CC1CC(NC(=O)CCn2cnc3ccc(Br)cc3c2=O)CCN1.Cl.
What is the InChIKey of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
The InChIKey is NWQGWEZAHSNNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O2.ClH/c1-11-8-13(4-6-19-11)21-16(23)5-7-22-10-20-15-3-2-12(18)9-14(15)17(22)24;/h2-3,9-11,13,19H,4-8H2,1H3,(H,21,23);1H.
What are the key properties of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride has a molecular weight of 429.75 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 120602457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).