(2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide

C17H14BrN3O2 — CID 1323660

IUPAC(2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Br)cc1)n1cnc2ccccc2c1=O
InChIInChI=1S/C17H14BrN3O2/c1-11(16(22)20-13-8-6-12(18)7-9-13)21-10-19-15-5-3-2-4-14(15)17(21)23/h2-11H,1H3,(H,20,22)/t11-/m0/s1
InChIKeyLNZBADIQZUJMFD-NSHDSACASA-N
MW372.22 g/mol
LogP3.36
Rot. Bonds3

About (2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide

(2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 1323660) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is (2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
PubChem CID1323660
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC Name(2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Br)cc1)n1cnc2ccccc2c1=O
InChIInChI=1S/C17H14BrN3O2/c1-11(16(22)20-13-8-6-12(18)7-9-13)21-10-19-15-5-3-2-4-14(15)17(21)23/h2-11H,1H3,(H,20,22)/t11-/m0/s1
InChIKeyLNZBADIQZUJMFD-NSHDSACASA-N
XLogP3.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 7581019
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 3150564
N-(3-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 2918932
(2S)-N-(4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 7632851
(2S)-2-(4-oxoquinazolin-3-yl)propanoic acid
CID 771110
N-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 4907134
(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
(2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 71825572
(2S)-N-(4-chlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
CID 7633398
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
(2S)-N-(4-bromophenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7730231

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of (2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide (CID 1323660) is (2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for (2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for (2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide is C[C@@H](C(=O)Nc1ccc(Br)cc1)n1cnc2ccccc2c1=O.
What is the InChIKey of (2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is LNZBADIQZUJMFD-NSHDSACASA-N. The full InChI is InChI=1S/C17H14BrN3O2/c1-11(16(22)20-13-8-6-12(18)7-9-13)21-10-19-15-5-3-2-4-14(15)17(21)23/h2-11H,1H3,(H,20,22)/t11-/m0/s1.
What are the key properties of (2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide?
(2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 372.22 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 1323660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).