2-(3-aminocyclopentyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C15H19N3O — CID 79464991

IUPAC2-(3-aminocyclopentyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1OC1CCC(N)C1)CCCC2
InChIInChI=1S/C15H19N3O/c16-9-11-7-10-3-1-2-4-14(10)18-15(11)19-13-6-5-12(17)8-13/h7,12-13H,1-6,8,17H2
InChIKeyKYZHWFPSOYNGAJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.09
Rot. Bonds2

About 2-(3-aminocyclopentyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-(3-aminocyclopentyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 79464991) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(3-aminocyclopentyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(3-aminocyclopentyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID79464991
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(3-aminocyclopentyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1OC1CCC(N)C1)CCCC2
InChIInChI=1S/C15H19N3O/c16-9-11-7-10-3-1-2-4-14(10)18-15(11)19-13-6-5-12(17)8-13/h7,12-13H,1-6,8,17H2
InChIKeyKYZHWFPSOYNGAJ-UHFFFAOYSA-N
XLogP2.09
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 64746934
2-(4-methylcyclohexyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63510855
2-(3-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carbonitrile
CID 79464580
2-[(4-aminocyclohexyl)-methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 79113654
2-(2-aminoethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 62347989
2-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 102740068
2-prop-2-ynoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 55207841
2-chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3779818
2-chloro-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile
CID 63460303
2-(2-piperidin-3-ylethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 62355816
2-[(3-methoxycyclopentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 103082181
2-(3-aminocyclohexyl)oxy-5-nitropyridine-3-carbonitrile
CID 79464691

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclopentyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-(3-aminocyclopentyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 79464991) is 2-(3-aminocyclopentyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-(3-aminocyclopentyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-(3-aminocyclopentyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1cc2c(nc1OC1CCC(N)C1)CCCC2.
What is the InChIKey of 2-(3-aminocyclopentyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is KYZHWFPSOYNGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-9-11-7-10-3-1-2-4-14(10)18-15(11)19-13-6-5-12(17)8-13/h7,12-13H,1-6,8,17H2.
What are the key properties of 2-(3-aminocyclopentyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-(3-aminocyclopentyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclopentyl)oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 79464991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).