N-(2-bromophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide

C18H16BrN3O3 — CID 4907704

IUPACN-(2-bromophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
SMILESCCC(C(=O)Nc1ccccc1Br)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C18H16BrN3O3/c1-2-15(16(23)20-14-10-6-4-8-12(14)19)22-17(24)11-7-3-5-9-13(11)21-18(22)25/h3-10,15H,2H2,1H3,(H,20,23)(H,21,25)
InChIKeyLMOWPOUAAJFZJV-UHFFFAOYSA-N
MW402.25 g/mol
LogP3.04
Rot. Bonds4

About N-(2-bromophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide

N-(2-bromophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide (PubChem CID 4907704) has the molecular formula C18H16BrN3O3 and a molecular weight of 402.25 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
PubChem CID4907704
Molecular FormulaC18H16BrN3O3
Molecular Weight402.25 g/mol
Exact Mass401.04
IUPAC NameN-(2-bromophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
SMILESCCC(C(=O)Nc1ccccc1Br)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C18H16BrN3O3/c1-2-15(16(23)20-14-10-6-4-8-12(14)19)22-17(24)11-7-3-5-9-13(11)21-18(22)25/h3-10,15H,2H2,1H3,(H,20,23)(H,21,25)
InChIKeyLMOWPOUAAJFZJV-UHFFFAOYSA-N
XLogP3.04
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4907918
N-(1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4904222
(2S)-N-(2-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 7618525
3-[1-(azepan-1-yl)-1-oxobutan-2-yl]-1H-quinazoline-2,4-dione
CID 4905275
methyl 2-(2,4-dioxo-1H-quinazolin-3-yl)pentanoate
CID 68726339
(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoyl]amino]propanoic acid
CID 6851381
methyl 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]benzoate
CID 4838492
(2S)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]propanoic acid
CID 6353140
(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 125430947
N-(4-acetamidophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4910445
4-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]benzamide
CID 125431438
2-[[2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid
CID 4838562

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The IUPAC name of N-(2-bromophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide (CID 4907704) is N-(2-bromophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The canonical SMILES for N-(2-bromophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide is CCC(C(=O)Nc1ccccc1Br)n1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of N-(2-bromophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The InChIKey is LMOWPOUAAJFZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3/c1-2-15(16(23)20-14-10-6-4-8-12(14)19)22-17(24)11-7-3-5-9-13(11)21-18(22)25/h3-10,15H,2H2,1H3,(H,20,23)(H,21,25).
What are the key properties of N-(2-bromophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
N-(2-bromophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide has a molecular weight of 402.25 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide is sourced from PubChem (CID 4907704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).