2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide

C19H17N3O — CID 42537662

IUPAC2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C19H17N3O/c23-19(21-12-13-7-9-20-10-8-13)16-11-18(14-5-6-14)22-17-4-2-1-3-15(16)17/h1-4,7-11,14H,5-6,12H2,(H,21,23)
InChIKeyLQCDZIVMBFVIRS-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.44
Rot. Bonds4

About 2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide

2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide (PubChem CID 42537662) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
PubChem CID42537662
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C19H17N3O/c23-19(21-12-13-7-9-20-10-8-13)16-11-18(14-5-6-14)22-17-4-2-1-3-15(16)17/h1-4,7-11,14H,5-6,12H2,(H,21,23)
InChIKeyLQCDZIVMBFVIRS-UHFFFAOYSA-N
XLogP3.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide (CID 42537662) is 2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide is O=C(NCc1ccncc1)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of 2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide?
The InChIKey is LQCDZIVMBFVIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c23-19(21-12-13-7-9-20-10-8-13)16-11-18(14-5-6-14)22-17-4-2-1-3-15(16)17/h1-4,7-11,14H,5-6,12H2,(H,21,23).
What are the key properties of 2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide?
2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 42537662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).