N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide

C15H13N3O — CID 110470876

IUPACN-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1cccc2cccnc12)c1ccc[nH]1
InChIInChI=1S/C15H13N3O/c19-15(13-7-3-8-16-13)18-10-12-5-1-4-11-6-2-9-17-14(11)12/h1-9,16H,10H2,(H,18,19)
InChIKeyLGBVHXYNXRNLQO-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.49
Rot. Bonds3

About N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide

N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 110470876) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID110470876
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1cccc2cccnc12)c1ccc[nH]1
InChIInChI=1S/C15H13N3O/c19-15(13-7-3-8-16-13)18-10-12-5-1-4-11-6-2-9-17-14(11)12/h1-9,16H,10H2,(H,18,19)
InChIKeyLGBVHXYNXRNLQO-UHFFFAOYSA-N
XLogP2.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide (CID 110470876) is N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide is O=C(NCc1cccc2cccnc12)c1ccc[nH]1.
What is the InChIKey of N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is LGBVHXYNXRNLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c19-15(13-7-3-8-16-13)18-10-12-5-1-4-11-6-2-9-17-14(11)12/h1-9,16H,10H2,(H,18,19).
What are the key properties of N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide?
N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 110470876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).