7-chloro-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinolin-4-amine

C17H18ClN5 — CID 133281768

IUPAC7-chloro-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinolin-4-amine
SMILESCCc1nc2n(n1)CC(Nc1ccnc3cc(Cl)ccc13)CC2
InChIInChI=1S/C17H18ClN5/c1-2-16-21-17-6-4-12(10-23(17)22-16)20-14-7-8-19-15-9-11(18)3-5-13(14)15/h3,5,7-9,12H,2,4,6,10H2,1H3,(H,19,20)
InChIKeyXHUYMLUFOUJVKV-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.47
Rot. Bonds3

About 7-chloro-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinolin-4-amine

7-chloro-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinolin-4-amine (PubChem CID 133281768) has the molecular formula C17H18ClN5 and a molecular weight of 327.82 g/mol. Its IUPAC name is 7-chloro-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinolin-4-amine
PubChem CID133281768
Molecular FormulaC17H18ClN5
Molecular Weight327.82 g/mol
Exact Mass327.13
IUPAC Name7-chloro-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinolin-4-amine
SMILESCCc1nc2n(n1)CC(Nc1ccnc3cc(Cl)ccc13)CC2
InChIInChI=1S/C17H18ClN5/c1-2-16-21-17-6-4-12(10-23(17)22-16)20-14-7-8-19-15-9-11(18)3-5-13(14)15/h3,5,7-9,12H,2,4,6,10H2,1H3,(H,19,20)
InChIKeyXHUYMLUFOUJVKV-UHFFFAOYSA-N
XLogP3.47
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinolin-4-amine with MolForge

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Related Compounds

N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-(trifluoromethyl)quinolin-4-amine
CID 133401455
7-chloro-N-[(3R)-1-methylpyrrolidin-3-yl]quinolin-4-amine
CID 57199203
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[2,3-b]pyrazin-6-amine
CID 133281727
7-chloro-N-(1-propylpiperidin-4-yl)quinolin-4-amine
CID 60667072
6,8-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinolin-4-amine
CID 133494527
7-chloro-N-(3-ethylcyclohexyl)quinolin-4-amine
CID 64742610
N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-8-methylquinolin-4-amine
CID 133369039
7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine
CID 67618697
4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 69198675
7-chloro-N-(3-methylsulfanylcyclopentyl)quinolin-4-amine
CID 103704139
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1-(3,5-dichlorophenyl)methanesulfonamide
CID 22641656
N-(azepan-4-yl)-7-chloroquinolin-4-amine
CID 107173682

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinolin-4-amine?
The IUPAC name of 7-chloro-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinolin-4-amine (CID 133281768) is 7-chloro-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinolin-4-amine?
The canonical SMILES for 7-chloro-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinolin-4-amine is CCc1nc2n(n1)CC(Nc1ccnc3cc(Cl)ccc13)CC2.
What is the InChIKey of 7-chloro-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinolin-4-amine?
The InChIKey is XHUYMLUFOUJVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5/c1-2-16-21-17-6-4-12(10-23(17)22-16)20-14-7-8-19-15-9-11(18)3-5-13(14)15/h3,5,7-9,12H,2,4,6,10H2,1H3,(H,19,20).
What are the key properties of 7-chloro-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinolin-4-amine?
7-chloro-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinolin-4-amine has a molecular weight of 327.82 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinolin-4-amine is sourced from PubChem (CID 133281768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).