N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)quinoline-2-carboxamide

C18H14N4O — CID 134791858

IUPACN-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)quinoline-2-carboxamide
SMILESO=C(NCc1ccnc2[nH]ccc12)c1ccc2ccccc2n1
InChIInChI=1S/C18H14N4O/c23-18(16-6-5-12-3-1-2-4-15(12)22-16)21-11-13-7-9-19-17-14(13)8-10-20-17/h1-10H,11H2,(H,19,20)(H,21,23)
InChIKeyQFZAXHSEDVGHRK-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.04
Rot. Bonds3

About N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)quinoline-2-carboxamide

N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)quinoline-2-carboxamide (PubChem CID 134791858) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)quinoline-2-carboxamide
PubChem CID134791858
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC NameN-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)quinoline-2-carboxamide
SMILESO=C(NCc1ccnc2[nH]ccc12)c1ccc2ccccc2n1
InChIInChI=1S/C18H14N4O/c23-18(16-6-5-12-3-1-2-4-15(12)22-16)21-11-13-7-9-19-17-14(13)8-10-20-17/h1-10H,11H2,(H,19,20)(H,21,23)
InChIKeyQFZAXHSEDVGHRK-UHFFFAOYSA-N
XLogP3.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide
CID 134793219
N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 712665
N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide
CID 115620186
N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide
CID 2707271
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide
CID 68840052
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
N-[(2-bromo-5-fluorophenyl)methyl]quinoline-2-carboxamide
CID 60535331
N-[(4-oxo-3H-phthalazin-1-yl)methyl]quinoline-2-carboxamide
CID 121048410
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]quinoline-2-carboxamide
CID 121165463
N-(2-oxoethyl)quinoline-2-carboxamide
CID 134322736
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-indole-4-carboxamide
CID 134794214

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)quinoline-2-carboxamide?
The IUPAC name of N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)quinoline-2-carboxamide (CID 134791858) is N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)quinoline-2-carboxamide?
The canonical SMILES for N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)quinoline-2-carboxamide is O=C(NCc1ccnc2[nH]ccc12)c1ccc2ccccc2n1.
What is the InChIKey of N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)quinoline-2-carboxamide?
The InChIKey is QFZAXHSEDVGHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c23-18(16-6-5-12-3-1-2-4-15(12)22-16)21-11-13-7-9-19-17-14(13)8-10-20-17/h1-10H,11H2,(H,19,20)(H,21,23).
What are the key properties of N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)quinoline-2-carboxamide?
N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)quinoline-2-carboxamide has a molecular weight of 302.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)quinoline-2-carboxamide is sourced from PubChem (CID 134791858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).