(2R)-2-(6-bromo-4-oxo-3H-quinazolin-2-yl)-2-cyano-N-pyridin-3-ylacetamide

C16H10BrN5O2 — CID 136676876

IUPAC(2R)-2-(6-bromo-4-oxo-3H-quinazolin-2-yl)-2-cyano-N-pyridin-3-ylacetamide
SMILESN#C[C@@H](C(=O)Nc1cccnc1)c1nc2ccc(Br)cc2c(=O)[nH]1
InChIInChI=1S/C16H10BrN5O2/c17-9-3-4-13-11(6-9)15(23)22-14(21-13)12(7-18)16(24)20-10-2-1-5-19-8-10/h1-6,8,12H,(H,20,24)(H,21,22,23)/t12-/m1/s1
InChIKeyQIZUMDWSNMYIRR-GFCCVEGCSA-N
MW384.19 g/mol
LogP2.33
Rot. Bonds3

About (2R)-2-(6-bromo-4-oxo-3H-quinazolin-2-yl)-2-cyano-N-pyridin-3-ylacetamide

(2R)-2-(6-bromo-4-oxo-3H-quinazolin-2-yl)-2-cyano-N-pyridin-3-ylacetamide (PubChem CID 136676876) has the molecular formula C16H10BrN5O2 and a molecular weight of 384.19 g/mol. Its IUPAC name is (2R)-2-(6-bromo-4-oxo-3H-quinazolin-2-yl)-2-cyano-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name(2R)-2-(6-bromo-4-oxo-3H-quinazolin-2-yl)-2-cyano-N-pyridin-3-ylacetamide
PubChem CID136676876
Molecular FormulaC16H10BrN5O2
Molecular Weight384.19 g/mol
Exact Mass383.00
IUPAC Name(2R)-2-(6-bromo-4-oxo-3H-quinazolin-2-yl)-2-cyano-N-pyridin-3-ylacetamide
SMILESN#C[C@@H](C(=O)Nc1cccnc1)c1nc2ccc(Br)cc2c(=O)[nH]1
InChIInChI=1S/C16H10BrN5O2/c17-9-3-4-13-11(6-9)15(23)22-14(21-13)12(7-18)16(24)20-10-2-1-5-19-8-10/h1-6,8,12H,(H,20,24)(H,21,22,23)/t12-/m1/s1
InChIKeyQIZUMDWSNMYIRR-GFCCVEGCSA-N
XLogP2.33
TPSA111.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.19
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(6-bromo-4-oxo-3H-quinazolin-2-yl)-2-cyano-N-pyridin-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-2-methylphenyl)-3-pyridin-3-ylurea
CID 47126030
S-[(3S)-3-cyano-3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)-2-oxopropyl] ethanethioate
CID 136828893
7-methyl-1-oxo-N-pyridin-3-yl-2H-isoquinoline-3-carboxamide
CID 172892515
2,2-difluoro-N-pyridin-3-ylacetamide
CID 103600571
2-cyano-3-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 67946283
(2R)-2-(4-bromo-2-chlorophenoxy)-N-pyridin-3-ylpropanamide
CID 42561654
(E)-2-(6-bromo-4-oxo-3H-quinazolin-2-yl)-3-pyridin-4-ylprop-2-enenitrile
CID 135782649
ethyl 2-[1-cyano-2-oxo-2-(pyridin-3-ylamino)ethyl]-1,3-thiazole-4-carboxylate
CID 71907855
2-cyano-2-phenyl-N-pyrimidin-5-ylacetamide
CID 107588694
2-(1H-benzimidazol-2-yl)-2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 71930597
6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 694704
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-bromo-4-oxo-3H-quinazolin-2-yl)-2-cyano-N-pyridin-3-ylacetamide?
The IUPAC name of (2R)-2-(6-bromo-4-oxo-3H-quinazolin-2-yl)-2-cyano-N-pyridin-3-ylacetamide (CID 136676876) is (2R)-2-(6-bromo-4-oxo-3H-quinazolin-2-yl)-2-cyano-N-pyridin-3-ylacetamide.
What is the SMILES notation for (2R)-2-(6-bromo-4-oxo-3H-quinazolin-2-yl)-2-cyano-N-pyridin-3-ylacetamide?
The canonical SMILES for (2R)-2-(6-bromo-4-oxo-3H-quinazolin-2-yl)-2-cyano-N-pyridin-3-ylacetamide is N#C[C@@H](C(=O)Nc1cccnc1)c1nc2ccc(Br)cc2c(=O)[nH]1.
What is the InChIKey of (2R)-2-(6-bromo-4-oxo-3H-quinazolin-2-yl)-2-cyano-N-pyridin-3-ylacetamide?
The InChIKey is QIZUMDWSNMYIRR-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H10BrN5O2/c17-9-3-4-13-11(6-9)15(23)22-14(21-13)12(7-18)16(24)20-10-2-1-5-19-8-10/h1-6,8,12H,(H,20,24)(H,21,22,23)/t12-/m1/s1.
What are the key properties of (2R)-2-(6-bromo-4-oxo-3H-quinazolin-2-yl)-2-cyano-N-pyridin-3-ylacetamide?
(2R)-2-(6-bromo-4-oxo-3H-quinazolin-2-yl)-2-cyano-N-pyridin-3-ylacetamide has a molecular weight of 384.19 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-bromo-4-oxo-3H-quinazolin-2-yl)-2-cyano-N-pyridin-3-ylacetamide is sourced from PubChem (CID 136676876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).