N-[(2-methoxyphenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide

C22H19N3O4S — CID 71825192

IUPACN-[(2-methoxyphenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc2c(=O)n(Cc3cccs3)c(=O)[nH]c2c1
InChIInChI=1S/C22H19N3O4S/c1-29-19-7-3-2-5-15(19)12-23-20(26)14-8-9-17-18(11-14)24-22(28)25(21(17)27)13-16-6-4-10-30-16/h2-11H,12-13H2,1H3,(H,23,26)(H,24,28)
InChIKeyAUCFLPOTRMMRRQ-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.74
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide

N-[(2-methoxyphenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide (PubChem CID 71825192) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide
PubChem CID71825192
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc2c(=O)n(Cc3cccs3)c(=O)[nH]c2c1
InChIInChI=1S/C22H19N3O4S/c1-29-19-7-3-2-5-15(19)12-23-20(26)14-8-9-17-18(11-14)24-22(28)25(21(17)27)13-16-6-4-10-30-16/h2-11H,12-13H2,1H3,(H,23,26)(H,24,28)
InChIKeyAUCFLPOTRMMRRQ-UHFFFAOYSA-N
XLogP2.74
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2-methoxyphenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide with MolForge

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 27252855
N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 3324304
3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-N-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide
CID 4609877
N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 15995150
3-[(2-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 3242678
1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 38159170
N-[[2-(difluoromethoxy)phenyl]methyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 24611743
N-[(2R)-butan-2-yl]-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 7032853
3-(2-methoxyphenyl)-4-oxo-N-(thiophen-2-ylmethyl)quinazoline-7-carboxamide
CID 39347985
N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
N-butyl-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 15988112

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide (CID 71825192) is N-[(2-methoxyphenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide is COc1ccccc1CNC(=O)c1ccc2c(=O)n(Cc3cccs3)c(=O)[nH]c2c1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide?
The InChIKey is AUCFLPOTRMMRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-29-19-7-3-2-5-15(19)12-23-20(26)14-8-9-17-18(11-14)24-22(28)25(21(17)27)13-16-6-4-10-30-16/h2-11H,12-13H2,1H3,(H,23,26)(H,24,28).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide?
N-[(2-methoxyphenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 71825192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).