N-cyclooctyl-2-pyridin-2-ylquinoline-4-carboxamide

C23H25N3O — CID 4229897

IUPACN-cyclooctyl-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NC1CCCCCCC1)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C23H25N3O/c27-23(25-17-10-4-2-1-3-5-11-17)19-16-22(21-14-8-9-15-24-21)26-20-13-7-6-12-18(19)20/h6-9,12-17H,1-5,10-11H2,(H,25,27)
InChIKeyPVICYIATRKOEKW-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.14
Rot. Bonds3

About N-cyclooctyl-2-pyridin-2-ylquinoline-4-carboxamide

N-cyclooctyl-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 4229897) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-cyclooctyl-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID4229897
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-cyclooctyl-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NC1CCCCCCC1)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C23H25N3O/c27-23(25-17-10-4-2-1-3-5-11-17)19-16-22(21-14-8-9-15-24-21)26-20-13-7-6-12-18(19)20/h6-9,12-17H,1-5,10-11H2,(H,25,27)
InChIKeyPVICYIATRKOEKW-UHFFFAOYSA-N
XLogP5.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 33625
N-(2-(Dimethylamino)ethyl)acridine-4-carboxamide
CID 107805
Indoramin hydrochloride
CID 38102
1-(4-Pyridinyl)-3-(2-quinolinyl)-2-propen-1-one
CID 25142799
SB 222200
CID 6604009
((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
2-(2-Quinolin-3-ylpyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
CID 10389239
4-tert-butyl-N-(quinolin-3-yl)benzamide
CID 797382
4-butyl-N-(quinolin-3-yl)benzamide
CID 1860395
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628
Parvine
CID 320217
3-Quinolinecarboxamide
CID 15561101

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-cyclooctyl-2-pyridin-2-ylquinoline-4-carboxamide (CID 4229897) is N-cyclooctyl-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-cyclooctyl-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-cyclooctyl-2-pyridin-2-ylquinoline-4-carboxamide is O=C(NC1CCCCCCC1)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N-cyclooctyl-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is PVICYIATRKOEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c27-23(25-17-10-4-2-1-3-5-11-17)19-16-22(21-14-8-9-15-24-21)26-20-13-7-6-12-18(19)20/h6-9,12-17H,1-5,10-11H2,(H,25,27).
What are the key properties of N-cyclooctyl-2-pyridin-2-ylquinoline-4-carboxamide?
N-cyclooctyl-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 4229897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).