2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide

C16H15BrN4O2 — CID 51196190

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide
SMILESCC(C#N)(NC(=O)Cn1cnc2ccc(Br)cc2c1=O)C1CC1
InChIInChI=1S/C16H15BrN4O2/c1-16(8-18,10-2-3-10)20-14(22)7-21-9-19-13-5-4-11(17)6-12(13)15(21)23/h4-6,9-10H,2-3,7H2,1H3,(H,20,22)
InChIKeyNJMUVDHYQXFWRU-UHFFFAOYSA-N
MW375.23 g/mol
LogP1.97
Rot. Bonds4

About 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide (PubChem CID 51196190) has the molecular formula C16H15BrN4O2 and a molecular weight of 375.23 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide
PubChem CID51196190
Molecular FormulaC16H15BrN4O2
Molecular Weight375.23 g/mol
Exact Mass374.04
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide
SMILESCC(C#N)(NC(=O)Cn1cnc2ccc(Br)cc2c1=O)C1CC1
InChIInChI=1S/C16H15BrN4O2/c1-16(8-18,10-2-3-10)20-14(22)7-21-9-19-13-5-4-11(17)6-12(13)15(21)23/h4-6,9-10H,2-3,7H2,1H3,(H,20,22)
InChIKeyNJMUVDHYQXFWRU-UHFFFAOYSA-N
XLogP1.97
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride
CID 119606569
N-(1-cyano-1-cyclopropylethyl)-2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 78793621
N-[2-(aminomethyl)cyclohexyl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 119610209
N-(1-cyano-1-cyclopropylethyl)-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 78559086
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
CID 7886604
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
CID 7488299
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7595363
6-bromo-3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 119561032
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120597912
N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 120507203

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide (CID 51196190) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide is CC(C#N)(NC(=O)Cn1cnc2ccc(Br)cc2c1=O)C1CC1.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide?
The InChIKey is NJMUVDHYQXFWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O2/c1-16(8-18,10-2-3-10)20-14(22)7-21-9-19-13-5-4-11(17)6-12(13)15(21)23/h4-6,9-10H,2-3,7H2,1H3,(H,20,22).
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide has a molecular weight of 375.23 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide is sourced from PubChem (CID 51196190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).