2-methyl-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]quinoline-4-carboxamide

C18H16N4O — CID 6884455

IUPAC2-methyl-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]quinoline-4-carboxamide
SMILESCc1cccc(/C=N/NC(=O)c2cc(C)nc3ccccc23)n1
InChIInChI=1S/C18H16N4O/c1-12-6-5-7-14(20-12)11-19-22-18(23)16-10-13(2)21-17-9-4-3-8-15(16)17/h3-11H,1-2H3,(H,22,23)/b19-11+
InChIKeyBYZZUCYJDWNDKV-YBFXNURJSA-N
MW304.35 g/mol
LogP3.01
Rot. Bonds3

About 2-methyl-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]quinoline-4-carboxamide

2-methyl-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]quinoline-4-carboxamide (PubChem CID 6884455) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-methyl-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]quinoline-4-carboxamide
PubChem CID6884455
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name2-methyl-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]quinoline-4-carboxamide
SMILESCc1cccc(/C=N/NC(=O)c2cc(C)nc3ccccc23)n1
InChIInChI=1S/C18H16N4O/c1-12-6-5-7-14(20-12)11-19-22-18(23)16-10-13(2)21-17-9-4-3-8-15(16)17/h3-11H,1-2H3,(H,22,23)/b19-11+
InChIKeyBYZZUCYJDWNDKV-YBFXNURJSA-N
XLogP3.01
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]quinoline-4-carboxamide (CID 6884455) is 2-methyl-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]quinoline-4-carboxamide is Cc1cccc(/C=N/NC(=O)c2cc(C)nc3ccccc23)n1.
What is the InChIKey of 2-methyl-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is BYZZUCYJDWNDKV-YBFXNURJSA-N. The full InChI is InChI=1S/C18H16N4O/c1-12-6-5-7-14(20-12)11-19-22-18(23)16-10-13(2)21-17-9-4-3-8-15(16)17/h3-11H,1-2H3,(H,22,23)/b19-11+.
What are the key properties of 2-methyl-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]quinoline-4-carboxamide?
2-methyl-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 6884455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).