3-ethyl-2,4-dioxo-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-quinazoline-7-carboxamide

C24H26N4O4 — CID 166216984

IUPAC3-ethyl-2,4-dioxo-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)NC3CCN(C(=O)CCc4ccccc4)C3)ccc2c1=O
InChIInChI=1S/C24H26N4O4/c1-2-28-23(31)19-10-9-17(14-20(19)26-24(28)32)22(30)25-18-12-13-27(15-18)21(29)11-8-16-6-4-3-5-7-16/h3-7,9-10,14,18H,2,8,11-13,15H2,1H3,(H,25,30)(H,26,32)
InChIKeyHTECKFKJRQVUOL-UHFFFAOYSA-N
MW434.50 g/mol
LogP1.67
Rot. Bonds6

About 3-ethyl-2,4-dioxo-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-quinazoline-7-carboxamide

3-ethyl-2,4-dioxo-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-quinazoline-7-carboxamide (PubChem CID 166216984) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-ethyl-2,4-dioxo-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-ethyl-2,4-dioxo-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-quinazoline-7-carboxamide
PubChem CID166216984
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name3-ethyl-2,4-dioxo-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)NC3CCN(C(=O)CCc4ccccc4)C3)ccc2c1=O
InChIInChI=1S/C24H26N4O4/c1-2-28-23(31)19-10-9-17(14-20(19)26-24(28)32)22(30)25-18-12-13-27(15-18)21(29)11-8-16-6-4-3-5-7-16/h3-7,9-10,14,18H,2,8,11-13,15H2,1H3,(H,25,30)(H,26,32)
InChIKeyHTECKFKJRQVUOL-UHFFFAOYSA-N
XLogP1.67
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-2,4-dioxo-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-quinazoline-7-carboxamide with MolForge

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Related Compounds

3-ethyl-N-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 166367509
tert-butyl 3-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]pyrrolidine-1-carboxylate
CID 167871842
N-cyclopropyl-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide
CID 22423244
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 166203024
3-fluoro-4-[[1-(3-phenylpropanoyl)pyrrolidin-3-yl]carbamoyl]benzoic acid
CID 120551121
3-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 136580955
1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylic acid
CID 119166689
3-ethyl-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55958523
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
3-ethyl-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 166246986
2-methyl-N-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-pyrrole-3-carboxamide
CID 97066119
3-ethyl-7-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione;hydrochloride
CID 119539121

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dioxo-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-quinazoline-7-carboxamide?
The IUPAC name of 3-ethyl-2,4-dioxo-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-quinazoline-7-carboxamide (CID 166216984) is 3-ethyl-2,4-dioxo-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 3-ethyl-2,4-dioxo-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-quinazoline-7-carboxamide?
The canonical SMILES for 3-ethyl-2,4-dioxo-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-quinazoline-7-carboxamide is CCn1c(=O)[nH]c2cc(C(=O)NC3CCN(C(=O)CCc4ccccc4)C3)ccc2c1=O.
What is the InChIKey of 3-ethyl-2,4-dioxo-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-quinazoline-7-carboxamide?
The InChIKey is HTECKFKJRQVUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-2-28-23(31)19-10-9-17(14-20(19)26-24(28)32)22(30)25-18-12-13-27(15-18)21(29)11-8-16-6-4-3-5-7-16/h3-7,9-10,14,18H,2,8,11-13,15H2,1H3,(H,25,30)(H,26,32).
What are the key properties of 3-ethyl-2,4-dioxo-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-quinazoline-7-carboxamide?
3-ethyl-2,4-dioxo-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-quinazoline-7-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dioxo-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 166216984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).