2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide

C14H16BrN3O2 — CID 7488299

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)Cn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C14H16BrN3O2/c1-3-9(2)17-13(19)7-18-8-16-12-5-4-10(15)6-11(12)14(18)20/h4-6,8-9H,3,7H2,1-2H3,(H,17,19)/t9-/m0/s1
InChIKeySFHTUKYRVGNLFO-VIFPVBQESA-N
MW338.21 g/mol
LogP2.07
Rot. Bonds4

About 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide

2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide (PubChem CID 7488299) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
PubChem CID7488299
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)Cn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C14H16BrN3O2/c1-3-9(2)17-13(19)7-18-8-16-12-5-4-10(15)6-11(12)14(18)20/h4-6,8-9H,3,7H2,1-2H3,(H,17,19)/t9-/m0/s1
InChIKeySFHTUKYRVGNLFO-VIFPVBQESA-N
XLogP2.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide 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

N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 120507203
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
N-[(2S)-butan-2-yl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7284295
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55379236
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
CID 7488140
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
N-[(2S)-1-aminopropan-2-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 120506243
N-[[(2R)-butan-2-yl]carbamoyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 8536831
N-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride
CID 119496250
N-[3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]-2-methylbutanamide
CID 55797996
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride
CID 119606569
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
CID 7886604

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide (CID 7488299) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide is CC[C@H](C)NC(=O)Cn1cnc2ccc(Br)cc2c1=O.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide?
The InChIKey is SFHTUKYRVGNLFO-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-3-9(2)17-13(19)7-18-8-16-12-5-4-10(15)6-11(12)14(18)20/h4-6,8-9H,3,7H2,1-2H3,(H,17,19)/t9-/m0/s1.
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide has a molecular weight of 338.21 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide is sourced from PubChem (CID 7488299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).