N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-2-carboxamide

C20H18N4O — CID 90556263

IUPACN-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-2-carboxamide
SMILESO=C(NCCCn1ccc2cccnc21)c1ccc2ccccc2n1
InChIInChI=1S/C20H18N4O/c25-20(18-9-8-15-5-1-2-7-17(15)23-18)22-12-4-13-24-14-10-16-6-3-11-21-19(16)24/h1-3,5-11,14H,4,12-13H2,(H,22,25)
InChIKeyFSEBLWKUVZCZOE-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.40
Rot. Bonds5

About N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-2-carboxamide

N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-2-carboxamide (PubChem CID 90556263) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-2-carboxamide
PubChem CID90556263
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-2-carboxamide
SMILESO=C(NCCCn1ccc2cccnc21)c1ccc2ccccc2n1
InChIInChI=1S/C20H18N4O/c25-20(18-9-8-15-5-1-2-7-17(15)23-18)22-12-4-13-24-14-10-16-6-3-11-21-19(16)24/h1-3,5-11,14H,4,12-13H2,(H,22,25)
InChIKeyFSEBLWKUVZCZOE-UHFFFAOYSA-N
XLogP3.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 90556234
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
3,5-dimethyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556279
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
2-ethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556284
N-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide
CID 51110395
3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556292
N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide
CID 51073449
2-(3-methylphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide
CID 90556327
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-2-carboxamide
CID 37094959
3-(2-methoxyphenyl)-1-methyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrazole-5-carboxamide
CID 90556383
N-[5-[5-(quinoline-2-carbonylamino)pentyldisulfanyl]pentyl]quinoline-2-carboxamide
CID 56642778

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-2-carboxamide?
The IUPAC name of N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-2-carboxamide (CID 90556263) is N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-2-carboxamide?
The canonical SMILES for N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-2-carboxamide is O=C(NCCCn1ccc2cccnc21)c1ccc2ccccc2n1.
What is the InChIKey of N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-2-carboxamide?
The InChIKey is FSEBLWKUVZCZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c25-20(18-9-8-15-5-1-2-7-17(15)23-18)22-12-4-13-24-14-10-16-6-3-11-21-19(16)24/h1-3,5-11,14H,4,12-13H2,(H,22,25).
What are the key properties of N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-2-carboxamide?
N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-2-carboxamide is sourced from PubChem (CID 90556263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).