(2R)-N-(2,4-difluorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide

C18H15F2N3O2 — CID 7631288

IUPAC(2R)-N-(2,4-difluorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
SMILESCC[C@H](C(=O)Nc1ccc(F)cc1F)n1cnc2ccccc2c1=O
InChIInChI=1S/C18H15F2N3O2/c1-2-16(17(24)22-15-8-7-11(19)9-13(15)20)23-10-21-14-6-4-3-5-12(14)18(23)25/h3-10,16H,2H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyIZHNDOLNHYXJTC-MRXNPFEDSA-N
MW343.33 g/mol
LogP3.26
Rot. Bonds4

About (2R)-N-(2,4-difluorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide

(2R)-N-(2,4-difluorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide (PubChem CID 7631288) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is (2R)-N-(2,4-difluorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-N-(2,4-difluorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
PubChem CID7631288
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC Name(2R)-N-(2,4-difluorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
SMILESCC[C@H](C(=O)Nc1ccc(F)cc1F)n1cnc2ccccc2c1=O
InChIInChI=1S/C18H15F2N3O2/c1-2-16(17(24)22-15-8-7-11(19)9-13(15)20)23-10-21-14-6-4-3-5-12(14)18(23)25/h3-10,16H,2H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyIZHNDOLNHYXJTC-MRXNPFEDSA-N
XLogP3.26
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 4907359
(2S)-N-(4-chlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
CID 7633398
methyl 4,5-dimethoxy-2-[2-(4-oxoquinazolin-3-yl)butanoylamino]benzoate
CID 4870852
(2R)-N-(3,4-dichlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
CID 7596180
(2R)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide
CID 7579540
(2S)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide
CID 7579532
4-oxo-3-[2-(4-oxoquinazolin-3-yl)butanoylamino]-5-(2,4,6-trifluorophenoxy)pentanoic acid
CID 66593990
N-(4-bromo-2-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 4899775
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)butanamide
CID 4905863
(3S)-4-oxo-3-[[(2S)-2-(4-oxoquinazolin-3-yl)butanoyl]amino]-5-(2,3,6-trifluorophenoxy)pentanoic acid
CID 10255052
(2S)-N-(4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 7632851
(2S)-N-(2,5-difluorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide
CID 93053055

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-difluorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of (2R)-N-(2,4-difluorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide (CID 7631288) is (2R)-N-(2,4-difluorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for (2R)-N-(2,4-difluorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for (2R)-N-(2,4-difluorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide is CC[C@H](C(=O)Nc1ccc(F)cc1F)n1cnc2ccccc2c1=O.
What is the InChIKey of (2R)-N-(2,4-difluorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide?
The InChIKey is IZHNDOLNHYXJTC-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c1-2-16(17(24)22-15-8-7-11(19)9-13(15)20)23-10-21-14-6-4-3-5-12(14)18(23)25/h3-10,16H,2H2,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of (2R)-N-(2,4-difluorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide?
(2R)-N-(2,4-difluorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide has a molecular weight of 343.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-difluorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 7631288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).