1-pyridin-4-yl-2H-quinoline-3-carboxamide

C15H13N3O — CID 145221947

IUPAC1-pyridin-4-yl-2H-quinoline-3-carboxamide
SMILESNC(=O)C1=Cc2ccccc2N(c2ccncc2)C1
InChIInChI=1S/C15H13N3O/c16-15(19)12-9-11-3-1-2-4-14(11)18(10-12)13-5-7-17-8-6-13/h1-9H,10H2,(H2,16,19)
InChIKeyOLMCQBAJWRCRFD-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.10
Rot. Bonds2

About 1-pyridin-4-yl-2H-quinoline-3-carboxamide

1-pyridin-4-yl-2H-quinoline-3-carboxamide (PubChem CID 145221947) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-pyridin-4-yl-2H-quinoline-3-carboxamide.

Molecular Properties

Compound Name1-pyridin-4-yl-2H-quinoline-3-carboxamide
PubChem CID145221947
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name1-pyridin-4-yl-2H-quinoline-3-carboxamide
SMILESNC(=O)C1=Cc2ccccc2N(c2ccncc2)C1
InChIInChI=1S/C15H13N3O/c16-15(19)12-9-11-3-1-2-4-14(11)18(10-12)13-5-7-17-8-6-13/h1-9H,10H2,(H2,16,19)
InChIKeyOLMCQBAJWRCRFD-UHFFFAOYSA-N
XLogP2.10
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-2H-quinoline-3-carboxamide?
The IUPAC name of 1-pyridin-4-yl-2H-quinoline-3-carboxamide (CID 145221947) is 1-pyridin-4-yl-2H-quinoline-3-carboxamide.
What is the SMILES notation for 1-pyridin-4-yl-2H-quinoline-3-carboxamide?
The canonical SMILES for 1-pyridin-4-yl-2H-quinoline-3-carboxamide is NC(=O)C1=Cc2ccccc2N(c2ccncc2)C1.
What is the InChIKey of 1-pyridin-4-yl-2H-quinoline-3-carboxamide?
The InChIKey is OLMCQBAJWRCRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-15(19)12-9-11-3-1-2-4-14(11)18(10-12)13-5-7-17-8-6-13/h1-9H,10H2,(H2,16,19).
What are the key properties of 1-pyridin-4-yl-2H-quinoline-3-carboxamide?
1-pyridin-4-yl-2H-quinoline-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-2H-quinoline-3-carboxamide is sourced from PubChem (CID 145221947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).