N-[[(2R)-butan-2-yl]carbamoyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide

C15H17ClN4O3 — CID 8536831

IUPACN-[[(2R)-butan-2-yl]carbamoyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
SMILESCC[C@@H](C)NC(=O)NC(=O)Cn1cnc2ccc(Cl)cc2c1=O
InChIInChI=1S/C15H17ClN4O3/c1-3-9(2)18-15(23)19-13(21)7-20-8-17-12-5-4-10(16)6-11(12)14(20)22/h4-6,8-9H,3,7H2,1-2H3,(H2,18,19,21,23)/t9-/m1/s1
InChIKeyDMEQALGWGYJCTE-SECBINFHSA-N
MW336.78 g/mol
LogP1.67
Rot. Bonds4

About N-[[(2R)-butan-2-yl]carbamoyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide

N-[[(2R)-butan-2-yl]carbamoyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 8536831) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is N-[[(2R)-butan-2-yl]carbamoyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[[(2R)-butan-2-yl]carbamoyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
PubChem CID8536831
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC NameN-[[(2R)-butan-2-yl]carbamoyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
SMILESCC[C@@H](C)NC(=O)NC(=O)Cn1cnc2ccc(Cl)cc2c1=O
InChIInChI=1S/C15H17ClN4O3/c1-3-9(2)18-15(23)19-13(21)7-20-8-17-12-5-4-10(16)6-11(12)14(20)22/h4-6,8-9H,3,7H2,1-2H3,(H2,18,19,21,23)/t9-/m1/s1
InChIKeyDMEQALGWGYJCTE-SECBINFHSA-N
XLogP1.67
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(2R)-butan-2-yl]carbamoyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide with MolForge

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Related Compounds

2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
CID 7488299
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(1-cyclopropylethyl)acetamide
CID 51216214
N-[4-[(2S)-butan-2-yl]phenyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 7587529
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 5011290
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 8565378
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 8565376
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7488402
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-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 7587615
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 8607668
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 7488456

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-butan-2-yl]carbamoyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[[(2R)-butan-2-yl]carbamoyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide (CID 8536831) is N-[[(2R)-butan-2-yl]carbamoyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[[(2R)-butan-2-yl]carbamoyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[[(2R)-butan-2-yl]carbamoyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide is CC[C@@H](C)NC(=O)NC(=O)Cn1cnc2ccc(Cl)cc2c1=O.
What is the InChIKey of N-[[(2R)-butan-2-yl]carbamoyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is DMEQALGWGYJCTE-SECBINFHSA-N. The full InChI is InChI=1S/C15H17ClN4O3/c1-3-9(2)18-15(23)19-13(21)7-20-8-17-12-5-4-10(16)6-11(12)14(20)22/h4-6,8-9H,3,7H2,1-2H3,(H2,18,19,21,23)/t9-/m1/s1.
What are the key properties of N-[[(2R)-butan-2-yl]carbamoyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide?
N-[[(2R)-butan-2-yl]carbamoyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 336.78 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-butan-2-yl]carbamoyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 8536831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).