1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide

C23H21N3O3 — CID 645443

IUPAC1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCc1ccc(-n2c3c(cc(C(=O)Nc4cccc(C)n4)c2=O)C(=O)CCC3)cc1
InChIInChI=1S/C23H21N3O3/c1-14-9-11-16(12-10-14)26-19-6-4-7-20(27)17(19)13-18(23(26)29)22(28)25-21-8-3-5-15(2)24-21/h3,5,8-13H,4,6-7H2,1-2H3,(H,24,25,28)
InChIKeyRXRUJDMKIQRKGX-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.62
Rot. Bonds3

About 1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide

1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide (PubChem CID 645443) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
PubChem CID645443
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCc1ccc(-n2c3c(cc(C(=O)Nc4cccc(C)n4)c2=O)C(=O)CCC3)cc1
InChIInChI=1S/C23H21N3O3/c1-14-9-11-16(12-10-14)26-19-6-4-7-20(27)17(19)13-18(23(26)29)22(28)25-21-8-3-5-15(2)24-21/h3,5,8-13H,4,6-7H2,1-2H3,(H,24,25,28)
InChIKeyRXRUJDMKIQRKGX-UHFFFAOYSA-N
XLogP3.62
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide (CID 645443) is 1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide is Cc1ccc(-n2c3c(cc(C(=O)Nc4cccc(C)n4)c2=O)C(=O)CCC3)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The InChIKey is RXRUJDMKIQRKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-14-9-11-16(12-10-14)26-19-6-4-7-20(27)17(19)13-18(23(26)29)22(28)25-21-8-3-5-15(2)24-21/h3,5,8-13H,4,6-7H2,1-2H3,(H,24,25,28).
What are the key properties of 1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide is sourced from PubChem (CID 645443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).