N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoro-2-phenylquinoline-4-carboxamide;dihydrochloride

C23H24Cl2FN3O — CID 119459509

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoro-2-phenylquinoline-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CC2CCC(C1)N2)c1cc(-c2ccccc2)nc2cc(F)ccc12
InChIInChI=1S/C23H22FN3O.2ClH/c24-15-6-9-19-20(23(28)26-18-11-16-7-8-17(12-18)25-16)13-21(27-22(19)10-15)14-4-2-1-3-5-14;;/h1-6,9-10,13,16-18,25H,7-8,11-12H2,(H,26,28);2*1H
InChIKeyQNEYDYYESGOXNB-UHFFFAOYSA-N
MW448.37 g/mol
LogP4.90
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoro-2-phenylquinoline-4-carboxamide;dihydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoro-2-phenylquinoline-4-carboxamide;dihydrochloride (PubChem CID 119459509) has the molecular formula C23H24Cl2FN3O and a molecular weight of 448.37 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoro-2-phenylquinoline-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoro-2-phenylquinoline-4-carboxamide;dihydrochloride
PubChem CID119459509
Molecular FormulaC23H24Cl2FN3O
Molecular Weight448.37 g/mol
Exact Mass447.13
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoro-2-phenylquinoline-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CC2CCC(C1)N2)c1cc(-c2ccccc2)nc2cc(F)ccc12
InChIInChI=1S/C23H22FN3O.2ClH/c24-15-6-9-19-20(23(28)26-18-11-16-7-8-17(12-18)25-16)13-21(27-22(19)10-15)14-4-2-1-3-5-14;;/h1-6,9-10,13,16-18,25H,7-8,11-12H2,(H,26,28);2*1H
InChIKeyQNEYDYYESGOXNB-UHFFFAOYSA-N
XLogP4.90
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.37
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoro-2-phenylquinoline-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 119457455
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 119456905
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride
CID 119456987
N-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride
CID 119476850
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-2-iodobenzamide;hydrochloride
CID 119459355
N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide
CID 78767510
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride
CID 119456066
N-(1-ethylpiperidin-3-yl)-7-fluoro-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide
CID 45247814
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(7-fluoro-2-phenylquinolin-4-yl)methanone
CID 120655430
N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide
CID 81485515
N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride
CID 119456839
N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
CID 119388190

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoro-2-phenylquinoline-4-carboxamide;dihydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoro-2-phenylquinoline-4-carboxamide;dihydrochloride (CID 119459509) is N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoro-2-phenylquinoline-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoro-2-phenylquinoline-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoro-2-phenylquinoline-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CC2CCC(C1)N2)c1cc(-c2ccccc2)nc2cc(F)ccc12.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoro-2-phenylquinoline-4-carboxamide;dihydrochloride?
The InChIKey is QNEYDYYESGOXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O.2ClH/c24-15-6-9-19-20(23(28)26-18-11-16-7-8-17(12-18)25-16)13-21(27-22(19)10-15)14-4-2-1-3-5-14;;/h1-6,9-10,13,16-18,25H,7-8,11-12H2,(H,26,28);2*1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoro-2-phenylquinoline-4-carboxamide;dihydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoro-2-phenylquinoline-4-carboxamide;dihydrochloride has a molecular weight of 448.37 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoro-2-phenylquinoline-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119459509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).