2,8-dimethyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]quinoline-3-carboxamide

C22H20N4O — CID 135435758

IUPAC2,8-dimethyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]quinoline-3-carboxamide
SMILESCc1nc2c(C)cccc2cc1C(=O)N/N=C/c1c(C)[nH]c2ccccc12
InChIInChI=1S/C22H20N4O/c1-13-7-6-8-16-11-18(14(2)25-21(13)16)22(27)26-23-12-19-15(3)24-20-10-5-4-9-17(19)20/h4-12,24H,1-3H3,(H,26,27)/b23-12+
InChIKeyCGLMGVRMCXUULK-FSJBWODESA-N
MW356.43 g/mol
LogP4.41
Rot. Bonds3

About 2,8-dimethyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]quinoline-3-carboxamide

2,8-dimethyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]quinoline-3-carboxamide (PubChem CID 135435758) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 2,8-dimethyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]quinoline-3-carboxamide.

Molecular Properties

Compound Name2,8-dimethyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]quinoline-3-carboxamide
PubChem CID135435758
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name2,8-dimethyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]quinoline-3-carboxamide
SMILESCc1nc2c(C)cccc2cc1C(=O)N/N=C/c1c(C)[nH]c2ccccc12
InChIInChI=1S/C22H20N4O/c1-13-7-6-8-16-11-18(14(2)25-21(13)16)22(27)26-23-12-19-15(3)24-20-10-5-4-9-17(19)20/h4-12,24H,1-3H3,(H,26,27)/b23-12+
InChIKeyCGLMGVRMCXUULK-FSJBWODESA-N
XLogP4.41
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

3-hydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 135490389
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide
CID 136732453
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide
CID 135615472
3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 136852030
3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135403084
2,4-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135421610
2,8-dimethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]quinoline-3-carboxamide
CID 5411539
N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 2328373
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 136852027
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitrobenzamide
CID 136899350
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 135685446
N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2325178

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]quinoline-3-carboxamide?
The IUPAC name of 2,8-dimethyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]quinoline-3-carboxamide (CID 135435758) is 2,8-dimethyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]quinoline-3-carboxamide.
What is the SMILES notation for 2,8-dimethyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]quinoline-3-carboxamide?
The canonical SMILES for 2,8-dimethyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]quinoline-3-carboxamide is Cc1nc2c(C)cccc2cc1C(=O)N/N=C/c1c(C)[nH]c2ccccc12.
What is the InChIKey of 2,8-dimethyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]quinoline-3-carboxamide?
The InChIKey is CGLMGVRMCXUULK-FSJBWODESA-N. The full InChI is InChI=1S/C22H20N4O/c1-13-7-6-8-16-11-18(14(2)25-21(13)16)22(27)26-23-12-19-15(3)24-20-10-5-4-9-17(19)20/h4-12,24H,1-3H3,(H,26,27)/b23-12+.
What are the key properties of 2,8-dimethyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]quinoline-3-carboxamide?
2,8-dimethyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]quinoline-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]quinoline-3-carboxamide is sourced from PubChem (CID 135435758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).