N-(4-bromo-2-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide

C19H17BrFN3O2 — CID 4899775

IUPACN-(4-bromo-2-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
SMILESCC(C)C(C(=O)Nc1ccc(Br)cc1F)n1cnc2ccccc2c1=O
InChIInChI=1S/C19H17BrFN3O2/c1-11(2)17(18(25)23-16-8-7-12(20)9-14(16)21)24-10-22-15-6-4-3-5-13(15)19(24)26/h3-11,17H,1-2H3,(H,23,25)
InChIKeySQRRTKAFDSSHTL-UHFFFAOYSA-N
MW418.27 g/mol
LogP4.13
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide

N-(4-bromo-2-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide (PubChem CID 4899775) has the molecular formula C19H17BrFN3O2 and a molecular weight of 418.27 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
PubChem CID4899775
Molecular FormulaC19H17BrFN3O2
Molecular Weight418.27 g/mol
Exact Mass417.05
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
SMILESCC(C)C(C(=O)Nc1ccc(Br)cc1F)n1cnc2ccccc2c1=O
InChIInChI=1S/C19H17BrFN3O2/c1-11(2)17(18(25)23-16-8-7-12(20)9-14(16)21)24-10-22-15-6-4-3-5-13(15)19(24)26/h3-11,17H,1-2H3,(H,23,25)
InChIKeySQRRTKAFDSSHTL-UHFFFAOYSA-N
XLogP4.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.27
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 4906801
N-(3-chloro-4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 4871403
dimethyl 2-[[3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]benzene-1,4-dicarboxylate
CID 4967103
(2R)-N-(2,4-difluorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
CID 7631288
(2S)-2-[[(2S)-3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]propanoic acid
CID 6851451
(2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 1323660
(2S)-N-(3-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 7581019
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 7632540
2-[[3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]-3-phenylpropanoic acid
CID 4835706
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 3150564
N-(4-bromo-2-fluorophenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanamide
CID 24500335

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide (CID 4899775) is N-(4-bromo-2-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide is CC(C)C(C(=O)Nc1ccc(Br)cc1F)n1cnc2ccccc2c1=O.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide?
The InChIKey is SQRRTKAFDSSHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN3O2/c1-11(2)17(18(25)23-16-8-7-12(20)9-14(16)21)24-10-22-15-6-4-3-5-13(15)19(24)26/h3-11,17H,1-2H3,(H,23,25).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide?
N-(4-bromo-2-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide has a molecular weight of 418.27 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 4899775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).