2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C22H22N4O2 — CID 2894080

IUPAC2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(C)n2)C(c2cccnc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C22H22N4O2/c1-13-6-3-10-18(24-13)26-22(28)19-14(2)25-16-8-4-9-17(27)21(16)20(19)15-7-5-11-23-12-15/h3,5-7,10-12,20,25H,4,8-9H2,1-2H3,(H,24,26,28)
InChIKeyKHYKXQOONSTNTD-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.39
Rot. Bonds3

About 2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 2894080) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID2894080
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(C)n2)C(c2cccnc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C22H22N4O2/c1-13-6-3-10-18(24-13)26-22(28)19-14(2)25-16-8-4-9-17(27)21(16)20(19)15-7-5-11-23-12-15/h3,5-7,10-12,20,25H,4,8-9H2,1-2H3,(H,24,26,28)
InChIKeyKHYKXQOONSTNTD-UHFFFAOYSA-N
XLogP3.39
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 2894080) is 2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2cccc(C)n2)C(c2cccnc2)C2=C(CCCC2=O)N1.
What is the InChIKey of 2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is KHYKXQOONSTNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-13-6-3-10-18(24-13)26-22(28)19-14(2)25-16-8-4-9-17(27)21(16)20(19)15-7-5-11-23-12-15/h3,5-7,10-12,20,25H,4,8-9H2,1-2H3,(H,24,26,28).
What are the key properties of 2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 2894080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).