3-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide

C20H20N4O4 — CID 55818543

IUPAC3-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)NCc3cccc(C(=O)NC)c3)ccc2c1=O
InChIInChI=1S/C20H20N4O4/c1-3-24-19(27)15-8-7-14(10-16(15)23-20(24)28)18(26)22-11-12-5-4-6-13(9-12)17(25)21-2/h4-10H,3,11H2,1-2H3,(H,21,25)(H,22,26)(H,23,28)
InChIKeyZDPSVNQJIZXKSD-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.00
Rot. Bonds5

About 3-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide

3-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide (PubChem CID 55818543) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
PubChem CID55818543
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name3-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)NCc3cccc(C(=O)NC)c3)ccc2c1=O
InChIInChI=1S/C20H20N4O4/c1-3-24-19(27)15-8-7-14(10-16(15)23-20(24)28)18(26)22-11-12-5-4-6-13(9-12)17(25)21-2/h4-10H,3,11H2,1-2H3,(H,21,25)(H,22,26)(H,23,28)
InChIKeyZDPSVNQJIZXKSD-UHFFFAOYSA-N
XLogP1.00
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide with MolForge

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Related Compounds

3-ethyl-2,4-dioxo-N-[(1-prop-2-ynylpyrazol-4-yl)methyl]-1H-quinazoline-7-carboxamide
CID 154806399
3-ethyl-N-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 27259827
3-ethyl-N'-(4-fluorobenzoyl)-2,4-dioxo-1H-quinazoline-7-carbohydrazide
CID 55810946
3-ethyl-N-(furan-3-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 51120102
3-ethyl-2,4-dioxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1H-quinazoline-7-carboxamide
CID 55813371
3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide;hydrochloride
CID 120650490
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
3-ethyl-2,4-dioxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-quinazoline-7-carboxamide
CID 167799941
3-ethyl-N-[2-(furan-2-yl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 47051903
N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 936828
N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55811527
N-(1,1-diphenylethyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 56522577

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
The IUPAC name of 3-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide (CID 55818543) is 3-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 3-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
The canonical SMILES for 3-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide is CCn1c(=O)[nH]c2cc(C(=O)NCc3cccc(C(=O)NC)c3)ccc2c1=O.
What is the InChIKey of 3-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
The InChIKey is ZDPSVNQJIZXKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-3-24-19(27)15-8-7-14(10-16(15)23-20(24)28)18(26)22-11-12-5-4-6-13(9-12)17(25)21-2/h4-10H,3,11H2,1-2H3,(H,21,25)(H,22,26)(H,23,28).
What are the key properties of 3-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
3-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 55818543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).