N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide

C22H22N4O — CID 119457455

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C22H22N4O/c27-22(25-17-11-15-5-6-16(12-17)24-15)19-13-21(14-7-9-23-10-8-14)26-20-4-2-1-3-18(19)20/h1-4,7-10,13,15-17,24H,5-6,11-12H2,(H,25,27)
InChIKeyRLNGQQMNUJCWJY-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.31
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 119457455) has the molecular formula C22H22N4O and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID119457455
Molecular FormulaC22H22N4O
Molecular Weight358.44 g/mol
Exact Mass358.18
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C22H22N4O/c27-22(25-17-11-15-5-6-16(12-17)24-15)19-13-21(14-7-9-23-10-8-14)26-20-4-2-1-3-18(19)20/h1-4,7-10,13,15-17,24H,5-6,11-12H2,(H,25,27)
InChIKeyRLNGQQMNUJCWJY-UHFFFAOYSA-N
XLogP3.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 119456905
N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
CID 119388190
N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoro-2-phenylquinoline-4-carboxamide;dihydrochloride
CID 119459509
N-(2-methylpiperidin-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride
CID 120598205
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride
CID 119456987
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 56569028
N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide
CID 81485515
N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide
CID 78767510
N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 166268674
[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid
CID 69025406
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
[2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23990884

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 119457455) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide is O=C(NC1CC2CCC(C1)N2)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is RLNGQQMNUJCWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c27-22(25-17-11-15-5-6-16(12-17)24-15)19-13-21(14-7-9-23-10-8-14)26-20-4-2-1-3-18(19)20/h1-4,7-10,13,15-17,24H,5-6,11-12H2,(H,25,27).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 119457455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).