N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloroquinoline-8-carboxamide;dihydrochloride

C17H20Cl3N3O — CID 119458232

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloroquinoline-8-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CC2CCC(C1)N2)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H18ClN3O.2ClH/c18-15-6-5-14(16-13(15)2-1-7-19-16)17(22)21-12-8-10-3-4-11(9-12)20-10;;/h1-2,5-7,10-12,20H,3-4,8-9H2,(H,21,22);2*1H
InChIKeyVGJRAPNRUPTHAH-UHFFFAOYSA-N
MW388.73 g/mol
LogP3.74
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloroquinoline-8-carboxamide;dihydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloroquinoline-8-carboxamide;dihydrochloride (PubChem CID 119458232) has the molecular formula C17H20Cl3N3O and a molecular weight of 388.73 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloroquinoline-8-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloroquinoline-8-carboxamide;dihydrochloride
PubChem CID119458232
Molecular FormulaC17H20Cl3N3O
Molecular Weight388.73 g/mol
Exact Mass387.07
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloroquinoline-8-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CC2CCC(C1)N2)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H18ClN3O.2ClH/c18-15-6-5-14(16-13(15)2-1-7-19-16)17(22)21-12-8-10-3-4-11(9-12)20-10;;/h1-2,5-7,10-12,20H,3-4,8-9H2,(H,21,22);2*1H
InChIKeyVGJRAPNRUPTHAH-UHFFFAOYSA-N
XLogP3.74
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.73
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-cyclohexylquinoline-8-carboxamide
CID 37248042
N-(8-azabicyclo[3.2.1]octan-3-yl)-6-chloroquinoline-8-carboxamide
CID 119455967
5-chloro-N-[(3S)-1,1-dioxothian-3-yl]quinoline-8-carboxamide
CID 96547534
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119458333
N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide
CID 81485515
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-chlorobenzamide;hydrochloride
CID 119459232
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
CID 61238974
5-chloro-N-(2-piperidin-3-ylethyl)quinoline-8-carboxamide
CID 119558118
N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride
CID 119456839
N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide
CID 61230821
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(2-chlorophenyl)methoxy]benzamide;hydrochloride
CID 119458592
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119457477

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloroquinoline-8-carboxamide;dihydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloroquinoline-8-carboxamide;dihydrochloride (CID 119458232) is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloroquinoline-8-carboxamide;dihydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloroquinoline-8-carboxamide;dihydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloroquinoline-8-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CC2CCC(C1)N2)c1ccc(Cl)c2cccnc12.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloroquinoline-8-carboxamide;dihydrochloride?
The InChIKey is VGJRAPNRUPTHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O.2ClH/c18-15-6-5-14(16-13(15)2-1-7-19-16)17(22)21-12-8-10-3-4-11(9-12)20-10;;/h1-2,5-7,10-12,20H,3-4,8-9H2,(H,21,22);2*1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloroquinoline-8-carboxamide;dihydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloroquinoline-8-carboxamide;dihydrochloride has a molecular weight of 388.73 g/mol, XLogP of 3.74, 2 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)-5-chloroquinoline-8-carboxamide;dihydrochloride is sourced from PubChem (CID 119458232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).