N-(6-methyl-2-pyridinyl)-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide

C22H19N3O3 — CID 1307078

IUPACN-(6-methyl-2-pyridinyl)-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc3c(n(-c4ccccc4)c2=O)CCCC3=O)n1
InChIInChI=1S/C22H19N3O3/c1-14-7-5-12-20(23-14)24-21(27)17-13-16-18(10-6-11-19(16)26)25(22(17)28)15-8-3-2-4-9-15/h2-5,7-9,12-13H,6,10-11H2,1H3,(H,23,24,27)
InChIKeyHLJUGMDPADDSLK-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.31
Rot. Bonds3

About N-(6-methyl-2-pyridinyl)-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide

N-(6-methyl-2-pyridinyl)-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide (PubChem CID 1307078) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide
PubChem CID1307078
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-(6-methyl-2-pyridinyl)-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc3c(n(-c4ccccc4)c2=O)CCCC3=O)n1
InChIInChI=1S/C22H19N3O3/c1-14-7-5-12-20(23-14)24-21(27)17-13-16-18(10-6-11-19(16)26)25(22(17)28)15-8-3-2-4-9-15/h2-5,7-9,12-13H,6,10-11H2,1H3,(H,23,24,27)
InChIKeyHLJUGMDPADDSLK-UHFFFAOYSA-N
XLogP3.31
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide (CID 1307078) is N-(6-methyl-2-pyridinyl)-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide is Cc1cccc(NC(=O)c2cc3c(n(-c4ccccc4)c2=O)CCCC3=O)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide?
The InChIKey is HLJUGMDPADDSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-14-7-5-12-20(23-14)24-21(27)17-13-16-18(10-6-11-19(16)26)25(22(17)28)15-8-3-2-4-9-15/h2-5,7-9,12-13H,6,10-11H2,1H3,(H,23,24,27).
What are the key properties of N-(6-methyl-2-pyridinyl)-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide?
N-(6-methyl-2-pyridinyl)-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide is sourced from PubChem (CID 1307078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).