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

C19H17ClFN3O2 — CID 4871403

IUPACN-(3-chloro-4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
SMILESCC(C)C(C(=O)Nc1ccc(F)c(Cl)c1)n1cnc2ccccc2c1=O
InChIInChI=1S/C19H17ClFN3O2/c1-11(2)17(18(25)23-12-7-8-15(21)14(20)9-12)24-10-22-16-6-4-3-5-13(16)19(24)26/h3-11,17H,1-2H3,(H,23,25)
InChIKeyFCUQZBMYVWMRCZ-UHFFFAOYSA-N
MW373.82 g/mol
LogP4.02
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide (PubChem CID 4871403) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
PubChem CID4871403
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
SMILESCC(C)C(C(=O)Nc1ccc(F)c(Cl)c1)n1cnc2ccccc2c1=O
InChIInChI=1S/C19H17ClFN3O2/c1-11(2)17(18(25)23-12-7-8-15(21)14(20)9-12)24-10-22-16-6-4-3-5-13(16)19(24)26/h3-11,17H,1-2H3,(H,23,25)
InChIKeyFCUQZBMYVWMRCZ-UHFFFAOYSA-N
XLogP4.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 7632851
N-(2,4-dichlorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 4906801
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 7632540
N-(4-bromo-2-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 4899775
(2R)-N-(3,4-dichlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
CID 7596180
(2S)-N-(4-chlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
CID 7633398
(2S)-2-[[(2S)-3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]propanoic acid
CID 6851451
dimethyl 2-[[3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]benzene-1,4-dicarboxylate
CID 4967103
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)butanamide
CID 4905863
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 3150564
(2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 1323660
(2S)-N-(3-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 7581019

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide (CID 4871403) is N-(3-chloro-4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide is CC(C)C(C(=O)Nc1ccc(F)c(Cl)c1)n1cnc2ccccc2c1=O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide?
The InChIKey is FCUQZBMYVWMRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c1-11(2)17(18(25)23-12-7-8-15(21)14(20)9-12)24-10-22-16-6-4-3-5-13(16)19(24)26/h3-11,17H,1-2H3,(H,23,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide?
N-(3-chloro-4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide has a molecular weight of 373.82 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 4871403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).