3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide

C17H15BrN4O2 — CID 31113625

IUPAC3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)CCn2cnc3ccc(Br)cc3c2=O)n1
InChIInChI=1S/C17H15BrN4O2/c1-11-3-2-4-15(20-11)21-16(23)7-8-22-10-19-14-6-5-12(18)9-13(14)17(22)24/h2-6,9-10H,7-8H2,1H3,(H,20,21,23)
InChIKeyDOZMOUKTAZNJSI-UHFFFAOYSA-N
MW387.24 g/mol
LogP2.89
Rot. Bonds4

About 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide

3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 31113625) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide
PubChem CID31113625
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)CCn2cnc3ccc(Br)cc3c2=O)n1
InChIInChI=1S/C17H15BrN4O2/c1-11-3-2-4-15(20-11)21-16(23)7-8-22-10-19-14-6-5-12(18)9-13(14)17(22)24/h2-6,9-10H,7-8H2,1H3,(H,20,21,23)
InChIKeyDOZMOUKTAZNJSI-UHFFFAOYSA-N
XLogP2.89
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)propanamide
CID 34745509
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide
CID 46580979
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 31301273
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide
CID 30286634
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 30884886
N-(2-benzylphenyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 30288435
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(1-phenylethylamino)phenyl]propanamide
CID 55987816
N-[(2S)-1-aminopropan-2-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 120506243
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 51330900
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 24589483
methyl 2-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]-2-methylpropanoate
CID 43074401
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 55512357

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide (CID 31113625) is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide is Cc1cccc(NC(=O)CCn2cnc3ccc(Br)cc3c2=O)n1.
What is the InChIKey of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide?
The InChIKey is DOZMOUKTAZNJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c1-11-3-2-4-15(20-11)21-16(23)7-8-22-10-19-14-6-5-12(18)9-13(14)17(22)24/h2-6,9-10H,7-8H2,1H3,(H,20,21,23).
What are the key properties of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide?
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 387.24 g/mol, XLogP of 2.89, 4 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-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 31113625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).