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

C18H15Cl2N3O2 — CID 7596180

IUPAC(2R)-N-(3,4-dichlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
SMILESCC[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)n1cnc2ccccc2c1=O
InChIInChI=1S/C18H15Cl2N3O2/c1-2-16(17(24)22-11-7-8-13(19)14(20)9-11)23-10-21-15-6-4-3-5-12(15)18(23)25/h3-10,16H,2H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyAOMBUYRWYIGVGP-MRXNPFEDSA-N
MW376.24 g/mol
LogP4.29
Rot. Bonds4

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

(2R)-N-(3,4-dichlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide (PubChem CID 7596180) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is (2R)-N-(3,4-dichlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-N-(3,4-dichlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
PubChem CID7596180
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC Name(2R)-N-(3,4-dichlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
SMILESCC[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)n1cnc2ccccc2c1=O
InChIInChI=1S/C18H15Cl2N3O2/c1-2-16(17(24)22-11-7-8-13(19)14(20)9-11)23-10-21-15-6-4-3-5-12(15)18(23)25/h3-10,16H,2H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyAOMBUYRWYIGVGP-MRXNPFEDSA-N
XLogP4.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)butanamide
CID 4905863
(2S)-N-(4-chlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
CID 7633398
(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
(2R)-N-(2,4-difluorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
CID 7631288
N-(3-chloro-4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 4871403
methyl 4,5-dimethoxy-2-[2-(4-oxoquinazolin-3-yl)butanoylamino]benzoate
CID 4870852
2-(benzimidazol-1-yl)-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)butanamide
CID 16673634
N-(3,4-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4899863
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 3150564
N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide
CID 23801475
(2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 1323660

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-dichlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of (2R)-N-(3,4-dichlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide (CID 7596180) is (2R)-N-(3,4-dichlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for (2R)-N-(3,4-dichlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for (2R)-N-(3,4-dichlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide is CC[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)n1cnc2ccccc2c1=O.
What is the InChIKey of (2R)-N-(3,4-dichlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide?
The InChIKey is AOMBUYRWYIGVGP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-2-16(17(24)22-11-7-8-13(19)14(20)9-11)23-10-21-15-6-4-3-5-12(15)18(23)25/h3-10,16H,2H2,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of (2R)-N-(3,4-dichlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide?
(2R)-N-(3,4-dichlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide has a molecular weight of 376.24 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-dichlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 7596180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).