N-(4-aminocyclohexyl)-6-chloroquinoline-8-carboxamide;dihydrochloride

C16H20Cl3N3O — CID 119475262

IUPACN-(4-aminocyclohexyl)-6-chloroquinoline-8-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(NC(=O)c2cc(Cl)cc3cccnc23)CC1
InChIInChI=1S/C16H18ClN3O.2ClH/c17-11-8-10-2-1-7-19-15(10)14(9-11)16(21)20-13-5-3-12(18)4-6-13;;/h1-2,7-9,12-13H,3-6,18H2,(H,20,21);2*1H
InChIKeyNUGMEFBSXPTANW-UHFFFAOYSA-N
MW376.72 g/mol
LogP3.73
Rot. Bonds2

About N-(4-aminocyclohexyl)-6-chloroquinoline-8-carboxamide;dihydrochloride

N-(4-aminocyclohexyl)-6-chloroquinoline-8-carboxamide;dihydrochloride (PubChem CID 119475262) has the molecular formula C16H20Cl3N3O and a molecular weight of 376.72 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-6-chloroquinoline-8-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-6-chloroquinoline-8-carboxamide;dihydrochloride
PubChem CID119475262
Molecular FormulaC16H20Cl3N3O
Molecular Weight376.72 g/mol
Exact Mass375.07
IUPAC NameN-(4-aminocyclohexyl)-6-chloroquinoline-8-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(NC(=O)c2cc(Cl)cc3cccnc23)CC1
InChIInChI=1S/C16H18ClN3O.2ClH/c17-11-8-10-2-1-7-19-15(10)14(9-11)16(21)20-13-5-3-12(18)4-6-13;;/h1-2,7-9,12-13H,3-6,18H2,(H,20,21);2*1H
InChIKeyNUGMEFBSXPTANW-UHFFFAOYSA-N
XLogP3.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.72
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-6-chloroquinoline-8-carboxamide;dihydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-6-chloroquinoline-8-carboxamide;dihydrochloride (CID 119475262) is N-(4-aminocyclohexyl)-6-chloroquinoline-8-carboxamide;dihydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-6-chloroquinoline-8-carboxamide;dihydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-6-chloroquinoline-8-carboxamide;dihydrochloride is Cl.Cl.NC1CCC(NC(=O)c2cc(Cl)cc3cccnc23)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-6-chloroquinoline-8-carboxamide;dihydrochloride?
The InChIKey is NUGMEFBSXPTANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O.2ClH/c17-11-8-10-2-1-7-19-15(10)14(9-11)16(21)20-13-5-3-12(18)4-6-13;;/h1-2,7-9,12-13H,3-6,18H2,(H,20,21);2*1H.
What are the key properties of N-(4-aminocyclohexyl)-6-chloroquinoline-8-carboxamide;dihydrochloride?
N-(4-aminocyclohexyl)-6-chloroquinoline-8-carboxamide;dihydrochloride has a molecular weight of 376.72 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-6-chloroquinoline-8-carboxamide;dihydrochloride is sourced from PubChem (CID 119475262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).