4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]butanamide

C21H23N3O4 — CID 39043523

IUPAC4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]butanamide
SMILESCOc1ccccc1CCNC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C21H23N3O4/c1-28-18-10-5-2-7-15(18)12-13-22-19(25)11-6-14-24-20(26)16-8-3-4-9-17(16)23-21(24)27/h2-5,7-10H,6,11-14H2,1H3,(H,22,25)(H,23,27)
InChIKeyKQPHIESQUGKMCV-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.84
Rot. Bonds8

About 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]butanamide

4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]butanamide (PubChem CID 39043523) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]butanamide
PubChem CID39043523
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]butanamide
SMILESCOc1ccccc1CCNC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C21H23N3O4/c1-28-18-10-5-2-7-15(18)12-13-22-19(25)11-6-14-24-20(26)16-8-3-4-9-17(16)23-21(24)27/h2-5,7-10H,6,11-14H2,1H3,(H,22,25)(H,23,27)
InChIKeyKQPHIESQUGKMCV-UHFFFAOYSA-N
XLogP1.84
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide
CID 4103924
3-(2-methoxyphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide
CID 110419764
5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide
CID 119103654
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 119103707
6-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)hexanamide
CID 15988281
N-(3,4-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4909918
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide
CID 4068208
methyl 3-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 121020879
N-(2,5-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4902769
N-[2-(cyclohexen-1-yl)ethyl]-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4114746
N-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 34032078
1-[2-(2-methoxyphenyl)ethyl]-3-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]urea
CID 110610908

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]butanamide?
The IUPAC name of 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]butanamide (CID 39043523) is 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]butanamide is COc1ccccc1CCNC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]butanamide?
The InChIKey is KQPHIESQUGKMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-28-18-10-5-2-7-15(18)12-13-22-19(25)11-6-14-24-20(26)16-8-3-4-9-17(16)23-21(24)27/h2-5,7-10H,6,11-14H2,1H3,(H,22,25)(H,23,27).
What are the key properties of 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]butanamide?
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]butanamide has a molecular weight of 381.43 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 39043523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).