3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide

C25H29BrN4O2 — CID 60551759

IUPAC3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
SMILESCC1CCN(C(CNC(=O)CCn2cnc3ccc(Br)cc3c2=O)c2ccccc2)CC1
InChIInChI=1S/C25H29BrN4O2/c1-18-9-12-29(13-10-18)23(19-5-3-2-4-6-19)16-27-24(31)11-14-30-17-28-22-8-7-20(26)15-21(22)25(30)32/h2-8,15,17-18,23H,9-14,16H2,1H3,(H,27,31)
InChIKeyHZFSVVIPILYXJL-UHFFFAOYSA-N
MW497.44 g/mol
LogP4.14
Rot. Bonds7

About 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide

3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide (PubChem CID 60551759) has the molecular formula C25H29BrN4O2 and a molecular weight of 497.44 g/mol. Its IUPAC name is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide.

Molecular Properties

Compound Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
PubChem CID60551759
Molecular FormulaC25H29BrN4O2
Molecular Weight497.44 g/mol
Exact Mass496.15
IUPAC Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
SMILESCC1CCN(C(CNC(=O)CCn2cnc3ccc(Br)cc3c2=O)c2ccccc2)CC1
InChIInChI=1S/C25H29BrN4O2/c1-18-9-12-29(13-10-18)23(19-5-3-2-4-6-19)16-27-24(31)11-14-30-17-28-22-8-7-20(26)15-21(22)25(30)32/h2-8,15,17-18,23H,9-14,16H2,1H3,(H,27,31)
InChIKeyHZFSVVIPILYXJL-UHFFFAOYSA-N
XLogP4.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide with MolForge

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Related Compounds

3-(6-bromo-4-oxoquinazolin-3-yl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]propanamide
CID 55658756
N-[(2R)-2-(4-methylpiperidin-1-yl)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 52516514
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 51330900
N-(2-amino-1-cyclopropylethyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 119616697
6-bromo-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 31069717
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propanamide
CID 24622274
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 24621684
N-[(2S)-1-aminopropan-2-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 120506243
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120602457
6-bromo-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 42938979
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 31301273
N-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide
CID 92584194

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide?
The IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide (CID 60551759) is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide.
What is the SMILES notation for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide?
The canonical SMILES for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide is CC1CCN(C(CNC(=O)CCn2cnc3ccc(Br)cc3c2=O)c2ccccc2)CC1.
What is the InChIKey of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide?
The InChIKey is HZFSVVIPILYXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BrN4O2/c1-18-9-12-29(13-10-18)23(19-5-3-2-4-6-19)16-27-24(31)11-14-30-17-28-22-8-7-20(26)15-21(22)25(30)32/h2-8,15,17-18,23H,9-14,16H2,1H3,(H,27,31).
What are the key properties of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide?
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide has a molecular weight of 497.44 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 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-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide is sourced from PubChem (CID 60551759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).