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

C19H18FN3O2 — CID 7632851

IUPAC(2S)-N-(4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
SMILESCC(C)[C@@H](C(=O)Nc1ccc(F)cc1)n1cnc2ccccc2c1=O
InChIInChI=1S/C19H18FN3O2/c1-12(2)17(18(24)22-14-9-7-13(20)8-10-14)23-11-21-16-6-4-3-5-15(16)19(23)25/h3-12,17H,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyPFYJRDKIUXKQCI-KRWDZBQOSA-N
MW339.37 g/mol
LogP3.37
Rot. Bonds4

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

(2S)-N-(4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide (PubChem CID 7632851) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
PubChem CID7632851
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name(2S)-N-(4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
SMILESCC(C)[C@@H](C(=O)Nc1ccc(F)cc1)n1cnc2ccccc2c1=O
InChIInChI=1S/C19H18FN3O2/c1-12(2)17(18(24)22-14-9-7-13(20)8-10-14)23-11-21-16-6-4-3-5-15(16)19(23)25/h3-12,17H,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyPFYJRDKIUXKQCI-KRWDZBQOSA-N
XLogP3.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.37
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
(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
(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
N-(2,4-dichlorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 4906801
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995194
dimethyl 2-[[3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]benzene-1,4-dicarboxylate
CID 4967103
(2S)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide
CID 7579532
(2R)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide
CID 7579540
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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide (CID 7632851) is (2S)-N-(4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide is CC(C)[C@@H](C(=O)Nc1ccc(F)cc1)n1cnc2ccccc2c1=O.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide?
The InChIKey is PFYJRDKIUXKQCI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-12(2)17(18(24)22-14-9-7-13(20)8-10-14)23-11-21-16-6-4-3-5-15(16)19(23)25/h3-12,17H,1-2H3,(H,22,24)/t17-/m0/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide?
(2S)-N-(4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide has a molecular weight of 339.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 7632851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).