N-(8-azabicyclo[3.2.1]octan-3-yl)-6-chloroquinoline-8-carboxamide

C17H18ClN3O — CID 119455967

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-6-chloroquinoline-8-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1cc(Cl)cc2cccnc12
InChIInChI=1S/C17H18ClN3O/c18-11-6-10-2-1-5-19-16(10)15(7-11)17(22)21-14-8-12-3-4-13(9-14)20-12/h1-2,5-7,12-14,20H,3-4,8-9H2,(H,21,22)
InChIKeyQSKZZESUUOGJAP-UHFFFAOYSA-N
MW315.80 g/mol
LogP2.90
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-6-chloroquinoline-8-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-6-chloroquinoline-8-carboxamide (PubChem CID 119455967) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-6-chloroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-6-chloroquinoline-8-carboxamide
PubChem CID119455967
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-6-chloroquinoline-8-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1cc(Cl)cc2cccnc12
InChIInChI=1S/C17H18ClN3O/c18-11-6-10-2-1-5-19-16(10)15(7-11)17(22)21-14-8-12-3-4-13(9-14)20-12/h1-2,5-7,12-14,20H,3-4,8-9H2,(H,21,22)
InChIKeyQSKZZESUUOGJAP-UHFFFAOYSA-N
XLogP2.90
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

AV-608
CID 9917079
N-(4-Chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide
CID 9797919
Pyrrolopyridine, 20
CID 16720090
Pyrrolopyridine, 21
CID 16720091
Pyrrolopyridine, 22
CID 16720093
8-Chloro-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 10379792
10-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-chloro-3-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one
CID 69937087
Quinazolin-4(3H)-one, 1,2-dihydro-3-(4-chlorophenyl)-2-(2-pyridyl)-
CID 620910
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-3-yl)quinoline-4-carboxamide
CID 17373844
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-4-yl)quinoline-4-carboxamide
CID 17375211
Dipeptidyl nitrile inhibitor, 16
CID 44224126
2-chloro-N-[(2-methylquinolin-4-yl)methyl]pyridine-3-carboxamide
CID 1504631

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-6-chloroquinoline-8-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-6-chloroquinoline-8-carboxamide (CID 119455967) is N-(8-azabicyclo[3.2.1]octan-3-yl)-6-chloroquinoline-8-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-6-chloroquinoline-8-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-6-chloroquinoline-8-carboxamide is O=C(NC1CC2CCC(C1)N2)c1cc(Cl)cc2cccnc12.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-6-chloroquinoline-8-carboxamide?
The InChIKey is QSKZZESUUOGJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c18-11-6-10-2-1-5-19-16(10)15(7-11)17(22)21-14-8-12-3-4-13(9-14)20-12/h1-2,5-7,12-14,20H,3-4,8-9H2,(H,21,22).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-6-chloroquinoline-8-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-6-chloroquinoline-8-carboxamide has a molecular weight of 315.80 g/mol, XLogP of 2.90, 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)-6-chloroquinoline-8-carboxamide is sourced from PubChem (CID 119455967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).