1,3-dimethyl-2,4-dioxo-N-quinolin-3-ylquinazoline-6-carboxamide

C20H16N4O3 — CID 5302815

IUPAC1,3-dimethyl-2,4-dioxo-N-quinolin-3-ylquinazoline-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)Nc3cnc4ccccc4c3)ccc2n(C)c1=O
InChIInChI=1S/C20H16N4O3/c1-23-17-8-7-13(10-15(17)19(26)24(2)20(23)27)18(25)22-14-9-12-5-3-4-6-16(12)21-11-14/h3-11H,1-2H3,(H,22,25)
InChIKeyFRNPHLWURKHDGX-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.04
Rot. Bonds2

About 1,3-dimethyl-2,4-dioxo-N-quinolin-3-ylquinazoline-6-carboxamide

1,3-dimethyl-2,4-dioxo-N-quinolin-3-ylquinazoline-6-carboxamide (PubChem CID 5302815) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-quinolin-3-ylquinazoline-6-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-quinolin-3-ylquinazoline-6-carboxamide
PubChem CID5302815
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name1,3-dimethyl-2,4-dioxo-N-quinolin-3-ylquinazoline-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)Nc3cnc4ccccc4c3)ccc2n(C)c1=O
InChIInChI=1S/C20H16N4O3/c1-23-17-8-7-13(10-15(17)19(26)24(2)20(23)27)18(25)22-14-9-12-5-3-4-6-16(12)21-11-14/h3-11H,1-2H3,(H,22,25)
InChIKeyFRNPHLWURKHDGX-UHFFFAOYSA-N
XLogP2.04
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-quinolin-3-ylbenzamide
CID 974969
1,5-dimethyl-4-oxo-N-quinolin-3-ylpyrrolo[3,2-c]quinoline-2-carboxamide
CID 6622464
4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide
CID 66815675
6-(methylamino)-N-quinolin-3-ylpyridine-3-carboxamide
CID 62808644
6-chloro-N-quinolin-3-ylpyridine-3-carboxamide
CID 29330391
1-methyl-N-quinolin-3-yl-2,3-dihydroindole-5-carboxamide
CID 10447706
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 134009105
4-(methoxymethyl)-N-quinolin-3-ylbenzamide
CID 18153378
4-(4-oxopiperidin-1-yl)-N-quinolin-3-ylbenzamide
CID 66815608
4-(azepan-1-yl)-N-quinolin-3-ylbenzamide
CID 66815489
3-chloro-N-quinolin-3-ylbenzamide
CID 3284385

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-quinolin-3-ylquinazoline-6-carboxamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-quinolin-3-ylquinazoline-6-carboxamide (CID 5302815) is 1,3-dimethyl-2,4-dioxo-N-quinolin-3-ylquinazoline-6-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-quinolin-3-ylquinazoline-6-carboxamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-quinolin-3-ylquinazoline-6-carboxamide is Cn1c(=O)c2cc(C(=O)Nc3cnc4ccccc4c3)ccc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-quinolin-3-ylquinazoline-6-carboxamide?
The InChIKey is FRNPHLWURKHDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-23-17-8-7-13(10-15(17)19(26)24(2)20(23)27)18(25)22-14-9-12-5-3-4-6-16(12)21-11-14/h3-11H,1-2H3,(H,22,25).
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-quinolin-3-ylquinazoline-6-carboxamide?
1,3-dimethyl-2,4-dioxo-N-quinolin-3-ylquinazoline-6-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-quinolin-3-ylquinazoline-6-carboxamide is sourced from PubChem (CID 5302815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).