3-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propyl-1H-quinazoline-7-carboxamide

C23H26N4O4 — CID 60504091

IUPAC3-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propyl-1H-quinazoline-7-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc2c(=O)n(CC)c(=O)[nH]c2c1
InChIInChI=1S/C23H26N4O4/c1-4-12-26(14-20(28)24-18-9-7-6-8-15(18)3)21(29)16-10-11-17-19(13-16)25-23(31)27(5-2)22(17)30/h6-11,13H,4-5,12,14H2,1-3H3,(H,24,28)(H,25,31)
InChIKeyDZTGKAOEFXIQKT-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.51
Rot. Bonds7

About 3-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propyl-1H-quinazoline-7-carboxamide

3-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propyl-1H-quinazoline-7-carboxamide (PubChem CID 60504091) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 3-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propyl-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propyl-1H-quinazoline-7-carboxamide
PubChem CID60504091
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name3-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propyl-1H-quinazoline-7-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc2c(=O)n(CC)c(=O)[nH]c2c1
InChIInChI=1S/C23H26N4O4/c1-4-12-26(14-20(28)24-18-9-7-6-8-15(18)3)21(29)16-10-11-17-19(13-16)25-23(31)27(5-2)22(17)30/h6-11,13H,4-5,12,14H2,1-3H3,(H,24,28)(H,25,31)
InChIKeyDZTGKAOEFXIQKT-UHFFFAOYSA-N
XLogP2.51
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propyl-1H-quinazoline-7-carboxamide with MolForge

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Related Compounds

N-butyl-3-ethyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 78897733
3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 38684187
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 25163517
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indene-5-carboxamide
CID 38685975
N-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide
CID 38685034
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
3-ethyl-N-methyl-N-(3-methylbutyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 87016169
N-[4-(dimethylcarbamoyl)-3-methylphenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 136527414
1,3-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide
CID 37275470
4-bromo-N-[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]benzamide
CID 112771725
3-methoxy-N-[2-(2-methylanilino)-2-oxoethyl]-4-(2-methylpropoxy)-N-propylbenzamide
CID 38682731
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propyl-1H-quinazoline-7-carboxamide?
The IUPAC name of 3-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propyl-1H-quinazoline-7-carboxamide (CID 60504091) is 3-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propyl-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propyl-1H-quinazoline-7-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propyl-1H-quinazoline-7-carboxamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc2c(=O)n(CC)c(=O)[nH]c2c1.
What is the InChIKey of 3-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propyl-1H-quinazoline-7-carboxamide?
The InChIKey is DZTGKAOEFXIQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-4-12-26(14-20(28)24-18-9-7-6-8-15(18)3)21(29)16-10-11-17-19(13-16)25-23(31)27(5-2)22(17)30/h6-11,13H,4-5,12,14H2,1-3H3,(H,24,28)(H,25,31).
What are the key properties of 3-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propyl-1H-quinazoline-7-carboxamide?
3-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propyl-1H-quinazoline-7-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propyl-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 60504091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).