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

C16H17N5O3 — CID 125432106

IUPAC4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-methylpyrazol-3-yl)butanamide
SMILESCn1ccc(NC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)n1
InChIInChI=1S/C16H17N5O3/c1-20-10-8-13(19-20)18-14(22)7-4-9-21-15(23)11-5-2-3-6-12(11)17-16(21)24/h2-3,5-6,8,10H,4,7,9H2,1H3,(H,17,24)(H,18,19,22)
InChIKeyRIMIQDCWSQPQMF-UHFFFAOYSA-N
MW327.34 g/mol
LogP0.84
Rot. Bonds5

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

4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-methylpyrazol-3-yl)butanamide (PubChem CID 125432106) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-methylpyrazol-3-yl)butanamide.

Molecular Properties

Compound Name4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-methylpyrazol-3-yl)butanamide
PubChem CID125432106
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-methylpyrazol-3-yl)butanamide
SMILESCn1ccc(NC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)n1
InChIInChI=1S/C16H17N5O3/c1-20-10-8-13(19-20)18-14(22)7-4-9-21-15(23)11-5-2-3-6-12(11)17-16(21)24/h2-3,5-6,8,10H,4,7,9H2,1H3,(H,17,24)(H,18,19,22)
InChIKeyRIMIQDCWSQPQMF-UHFFFAOYSA-N
XLogP0.84
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4302111
N-(3,4-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4909918
5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide
CID 119103654
N-(2,5-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4902769
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide
CID 4103924
N-(1,3-benzodioxol-5-yl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
CID 4904247
2-[6-(2,4-dioxo-1H-quinazolin-3-yl)hexanoylamino]-3-methylbutanoic acid
CID 4834295
acetic acid;3-pentyl-1H-quinazoline-2,4-dione
CID 67872693
6-(1,3-dioxoisoindol-2-yl)-N-(1-methylpyrazol-3-yl)hexanamide
CID 19405045
N-(5-chloro-2,4-dimethoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
CID 4905587
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)butanamide
CID 42506632
N-(3-chloro-4-methoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
CID 4905483

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-methylpyrazol-3-yl)butanamide?
The IUPAC name of 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-methylpyrazol-3-yl)butanamide (CID 125432106) is 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-methylpyrazol-3-yl)butanamide.
What is the SMILES notation for 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-methylpyrazol-3-yl)butanamide?
The canonical SMILES for 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-methylpyrazol-3-yl)butanamide is Cn1ccc(NC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)n1.
What is the InChIKey of 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-methylpyrazol-3-yl)butanamide?
The InChIKey is RIMIQDCWSQPQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-20-10-8-13(19-20)18-14(22)7-4-9-21-15(23)11-5-2-3-6-12(11)17-16(21)24/h2-3,5-6,8,10H,4,7,9H2,1H3,(H,17,24)(H,18,19,22).
What are the key properties of 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-methylpyrazol-3-yl)butanamide?
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-methylpyrazol-3-yl)butanamide has a molecular weight of 327.34 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-methylpyrazol-3-yl)butanamide is sourced from PubChem (CID 125432106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).