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

C20H20BrN3O2 — CID 7488140

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
SMILESCC[C@@H](C)c1ccc(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1
InChIInChI=1S/C20H20BrN3O2/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-/m1/s1
InChIKeyDYVOLLRMRMRBRA-CYBMUJFWSA-N
MW414.30 g/mol
LogP4.31
Rot. Bonds5

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

2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide (PubChem CID 7488140) has the molecular formula C20H20BrN3O2 and a molecular weight of 414.30 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
PubChem CID7488140
Molecular FormulaC20H20BrN3O2
Molecular Weight414.30 g/mol
Exact Mass413.07
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
SMILESCC[C@@H](C)c1ccc(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1
InChIInChI=1S/C20H20BrN3O2/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-/m1/s1
InChIKeyDYVOLLRMRMRBRA-CYBMUJFWSA-N
XLogP4.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[4-[(2S)-butan-2-yl]phenyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 7587529
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
CID 7488299
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 5011290
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide
CID 26675731
butyl 4-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]benzoate
CID 26675736
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55379236
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 3311632
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7886626
N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 120507203
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
N-[3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]-2-methylbutanamide
CID 55797996

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide (CID 7488140) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide is CC[C@@H](C)c1ccc(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide?
The InChIKey is DYVOLLRMRMRBRA-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20BrN3O2/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-/m1/s1.
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide has a molecular weight of 414.30 g/mol, XLogP of 4.31, 5 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-[4-[(2R)-butan-2-yl]phenyl]acetamide is sourced from PubChem (CID 7488140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).