3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide

C19H15BrN6O2 — CID 30884886

IUPAC3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
SMILESO=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1cccnc1-n1cccn1
InChIInChI=1S/C19H15BrN6O2/c20-13-4-5-15-14(11-13)19(28)25(12-22-15)10-6-17(27)24-16-3-1-7-21-18(16)26-9-2-8-23-26/h1-5,7-9,11-12H,6,10H2,(H,24,27)
InChIKeyWNIYAJGRXYRNSP-UHFFFAOYSA-N
MW439.27 g/mol
LogP2.77
Rot. Bonds5

About 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide

3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide (PubChem CID 30884886) has the molecular formula C19H15BrN6O2 and a molecular weight of 439.27 g/mol. Its IUPAC name is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
PubChem CID30884886
Molecular FormulaC19H15BrN6O2
Molecular Weight439.27 g/mol
Exact Mass438.04
IUPAC Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
SMILESO=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1cccnc1-n1cccn1
InChIInChI=1S/C19H15BrN6O2/c20-13-4-5-15-14(11-13)19(28)25(12-22-15)10-6-17(27)24-16-3-1-7-21-18(16)26-9-2-8-23-26/h1-5,7-9,11-12H,6,10H2,(H,24,27)
InChIKeyWNIYAJGRXYRNSP-UHFFFAOYSA-N
XLogP2.77
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 55908017
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3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2-phenylethoxy)phenyl]propanamide
CID 55675001
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 31301273
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide
CID 46580979
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 31113625
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylphenyl)propanamide
CID 31150939
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide
CID 30286634
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)propanamide
CID 34745509
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 30884880
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(1-phenylethylamino)phenyl]propanamide
CID 55987816
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide?
The IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide (CID 30884886) is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide?
The canonical SMILES for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide is O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1cccnc1-n1cccn1.
What is the InChIKey of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide?
The InChIKey is WNIYAJGRXYRNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN6O2/c20-13-4-5-15-14(11-13)19(28)25(12-22-15)10-6-17(27)24-16-3-1-7-21-18(16)26-9-2-8-23-26/h1-5,7-9,11-12H,6,10H2,(H,24,27).
What are the key properties of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide?
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide has a molecular weight of 439.27 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 30884886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).