N-(1H-indol-3-ylmethylideneamino)quinoline-6-carboxamide

C19H14N4O — CID 1477968

IUPACN-(1H-indol-3-ylmethylideneamino)quinoline-6-carboxamide
SMILESO=C(NN=Cc1c[nH]c2ccccc12)c1ccc2ncccc2c1
InChIInChI=1S/C19H14N4O/c24-19(14-7-8-17-13(10-14)4-3-9-20-17)23-22-12-15-11-21-18-6-2-1-5-16(15)18/h1-12,21H,(H,23,24)
InChIKeyWEJPEBFFNMLZQL-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.48
Rot. Bonds3

About N-(1H-indol-3-ylmethylideneamino)quinoline-6-carboxamide

N-(1H-indol-3-ylmethylideneamino)quinoline-6-carboxamide (PubChem CID 1477968) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethylideneamino)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethylideneamino)quinoline-6-carboxamide
PubChem CID1477968
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC NameN-(1H-indol-3-ylmethylideneamino)quinoline-6-carboxamide
SMILESO=C(NN=Cc1c[nH]c2ccccc12)c1ccc2ncccc2c1
InChIInChI=1S/C19H14N4O/c24-19(14-7-8-17-13(10-14)4-3-9-20-17)23-22-12-15-11-21-18-6-2-1-5-16(15)18/h1-12,21H,(H,23,24)
InChIKeyWEJPEBFFNMLZQL-UHFFFAOYSA-N
XLogP3.48
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.48
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

N-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide
CID 135704659
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488
N-[(Z)-(2-fluorophenyl)methylideneamino]quinoline-6-carboxamide
CID 155530884
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
CID 135604376
3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135472516
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-6-carboxamide
CID 155558267
N-[(Z)-(2-nitrophenyl)methylideneamino]quinoline-6-carboxamide
CID 155522498
3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 135606906
N-[(E)-1H-indol-3-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 136732980
1-(1H-indol-3-yl)-N-quinolin-6-ylmethanimine
CID 3742458

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethylideneamino)quinoline-6-carboxamide?
The IUPAC name of N-(1H-indol-3-ylmethylideneamino)quinoline-6-carboxamide (CID 1477968) is N-(1H-indol-3-ylmethylideneamino)quinoline-6-carboxamide.
What is the SMILES notation for N-(1H-indol-3-ylmethylideneamino)quinoline-6-carboxamide?
The canonical SMILES for N-(1H-indol-3-ylmethylideneamino)quinoline-6-carboxamide is O=C(NN=Cc1c[nH]c2ccccc12)c1ccc2ncccc2c1.
What is the InChIKey of N-(1H-indol-3-ylmethylideneamino)quinoline-6-carboxamide?
The InChIKey is WEJPEBFFNMLZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c24-19(14-7-8-17-13(10-14)4-3-9-20-17)23-22-12-15-11-21-18-6-2-1-5-16(15)18/h1-12,21H,(H,23,24).
What are the key properties of N-(1H-indol-3-ylmethylideneamino)quinoline-6-carboxamide?
N-(1H-indol-3-ylmethylideneamino)quinoline-6-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethylideneamino)quinoline-6-carboxamide is sourced from PubChem (CID 1477968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).