N-(2,4-dichlorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide

C19H17Cl2N3O2 — CID 4906801

IUPACN-(2,4-dichlorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
SMILESCC(C)C(C(=O)Nc1ccc(Cl)cc1Cl)n1cnc2ccccc2c1=O
InChIInChI=1S/C19H17Cl2N3O2/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)
InChIKeyFZWNBRKMIYWCKL-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.54
Rot. Bonds4

About N-(2,4-dichlorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide

N-(2,4-dichlorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide (PubChem CID 4906801) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
PubChem CID4906801
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC NameN-(2,4-dichlorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
SMILESCC(C)C(C(=O)Nc1ccc(Cl)cc1Cl)n1cnc2ccccc2c1=O
InChIInChI=1S/C19H17Cl2N3O2/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)
InChIKeyFZWNBRKMIYWCKL-UHFFFAOYSA-N
XLogP4.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 4871403
N-(4-bromo-2-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 4899775
dimethyl 2-[[3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]benzene-1,4-dicarboxylate
CID 4967103
(2S)-N-(4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 7632851
(2S)-2-[[(2S)-3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]propanoic acid
CID 6851451
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 7632540
N-(2,4-dichlorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
CID 4282090
2-[[3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]-3-phenylpropanoic acid
CID 4835706
(2S)-N-(4-chlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
CID 7633398
(2R)-N-(2,4-difluorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
CID 7631288
(2S)-N-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 9255789
[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 55321089

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide (CID 4906801) is N-(2,4-dichlorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide is CC(C)C(C(=O)Nc1ccc(Cl)cc1Cl)n1cnc2ccccc2c1=O.
What is the InChIKey of N-(2,4-dichlorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide?
The InChIKey is FZWNBRKMIYWCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/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-(2,4-dichlorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide?
N-(2,4-dichlorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide has a molecular weight of 390.27 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 4906801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).