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

C20H20ClN3O2 — CID 7587529

IUPACN-[4-[(2S)-butan-2-yl]phenyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1
InChIInChI=1S/C20H20ClN3O2/c1-3-13(2)14-4-7-16(8-5-14)23-19(25)11-24-12-22-18-9-6-15(21)10-17(18)20(24)26/h4-10,12-13H,3,11H2,1-2H3,(H,23,25)/t13-/m0/s1
InChIKeyWXOQEBGFPLYLCV-ZDUSSCGKSA-N
MW369.85 g/mol
LogP4.20
Rot. Bonds5

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

N-[4-[(2S)-butan-2-yl]phenyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 7587529) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]phenyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]phenyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
PubChem CID7587529
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-[4-[(2S)-butan-2-yl]phenyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1
InChIInChI=1S/C20H20ClN3O2/c1-3-13(2)14-4-7-16(8-5-14)23-19(25)11-24-12-22-18-9-6-15(21)10-17(18)20(24)26/h4-10,12-13H,3,11H2,1-2H3,(H,23,25)/t13-/m0/s1
InChIKeyWXOQEBGFPLYLCV-ZDUSSCGKSA-N
XLogP4.20
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 5011290
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
CID 7488140
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide
CID 8536853
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 7488456
N-[[(2R)-butan-2-yl]carbamoyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 8536831
N-(4-chloro-2-methylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 3475689
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 8005577
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-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 8565378
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7488402
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 9355991
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 7587615

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide (CID 7587529) is N-[4-[(2S)-butan-2-yl]phenyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]phenyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]phenyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide is CC[C@H](C)c1ccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]phenyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is WXOQEBGFPLYLCV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-3-13(2)14-4-7-16(8-5-14)23-19(25)11-24-12-22-18-9-6-15(21)10-17(18)20(24)26/h4-10,12-13H,3,11H2,1-2H3,(H,23,25)/t13-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]phenyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide?
N-[4-[(2S)-butan-2-yl]phenyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 369.85 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]phenyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 7587529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).