4-(6-cyclopropyl-3-pyridinyl)quinoline-2-carboxamide

C18H15N3O — CID 66851974

IUPAC4-(6-cyclopropyl-3-pyridinyl)quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(C3CC3)nc2)c2ccccc2n1
InChIInChI=1S/C18H15N3O/c19-18(22)17-9-14(13-3-1-2-4-16(13)21-17)12-7-8-15(20-10-12)11-5-6-11/h1-4,7-11H,5-6H2,(H2,19,22)
InChIKeyGLYDRFQSNXXODX-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.27
Rot. Bonds3

About 4-(6-cyclopropyl-3-pyridinyl)quinoline-2-carboxamide

4-(6-cyclopropyl-3-pyridinyl)quinoline-2-carboxamide (PubChem CID 66851974) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-(6-cyclopropyl-3-pyridinyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-(6-cyclopropyl-3-pyridinyl)quinoline-2-carboxamide
PubChem CID66851974
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name4-(6-cyclopropyl-3-pyridinyl)quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(C3CC3)nc2)c2ccccc2n1
InChIInChI=1S/C18H15N3O/c19-18(22)17-9-14(13-3-1-2-4-16(13)21-17)12-7-8-15(20-10-12)11-5-6-11/h1-4,7-11H,5-6H2,(H2,19,22)
InChIKeyGLYDRFQSNXXODX-UHFFFAOYSA-N
XLogP3.27
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-cyclopropyl-3-pyridinyl)quinoline-2-carboxamide?
The IUPAC name of 4-(6-cyclopropyl-3-pyridinyl)quinoline-2-carboxamide (CID 66851974) is 4-(6-cyclopropyl-3-pyridinyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-(6-cyclopropyl-3-pyridinyl)quinoline-2-carboxamide?
The canonical SMILES for 4-(6-cyclopropyl-3-pyridinyl)quinoline-2-carboxamide is NC(=O)c1cc(-c2ccc(C3CC3)nc2)c2ccccc2n1.
What is the InChIKey of 4-(6-cyclopropyl-3-pyridinyl)quinoline-2-carboxamide?
The InChIKey is GLYDRFQSNXXODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c19-18(22)17-9-14(13-3-1-2-4-16(13)21-17)12-7-8-15(20-10-12)11-5-6-11/h1-4,7-11H,5-6H2,(H2,19,22).
What are the key properties of 4-(6-cyclopropyl-3-pyridinyl)quinoline-2-carboxamide?
4-(6-cyclopropyl-3-pyridinyl)quinoline-2-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-cyclopropyl-3-pyridinyl)quinoline-2-carboxamide is sourced from PubChem (CID 66851974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).