6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline

C21H27N5 — CID 70285979

IUPAC6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline
SMILESCCC(CC)n1nnc2c(N3CCCc4cc(C)ccc43)nc(C)cc21
InChIInChI=1S/C21H27N5/c1-5-17(6-2)26-19-13-15(4)22-21(20(19)23-24-26)25-11-7-8-16-12-14(3)9-10-18(16)25/h9-10,12-13,17H,5-8,11H2,1-4H3
InChIKeyIMBSIHXOFWCDNN-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.89
Rot. Bonds4

About 6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline

6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline (PubChem CID 70285979) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is 6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline
PubChem CID70285979
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC Name6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline
SMILESCCC(CC)n1nnc2c(N3CCCc4cc(C)ccc43)nc(C)cc21
InChIInChI=1S/C21H27N5/c1-5-17(6-2)26-19-13-15(4)22-21(20(19)23-24-26)25-11-7-8-16-12-14(3)9-10-18(16)25/h9-10,12-13,17H,5-8,11H2,1-4H3
InChIKeyIMBSIHXOFWCDNN-UHFFFAOYSA-N
XLogP4.89
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline with MolForge

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Related Compounds

8-chloro-6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline
CID 18629237
8-bromo-1-[1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridin-4-yl]-6-methyl-3,4-dihydro-2H-quinoline
CID 70026941
8-chloro-1-[1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridin-4-yl]-6-methyl-3,4-dihydro-2H-quinoline
CID 70024309
1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-6-methyl-3,4-dihydro-2H-quinoline
CID 63445814
6-bromo-1-[1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridin-4-yl]-8-methyl-3,4-dihydro-2H-quinoline
CID 70104506
4-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)-6-methyltriazolo[4,5-c]pyridine
CID 70101713
4-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine
CID 12050981
5-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 80754656
2-methyl-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carbonitrile
CID 114765786
1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]propan-1-ol
CID 115940378
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
N,2,5-trimethyl-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 80755883

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline (CID 70285979) is 6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline is CCC(CC)n1nnc2c(N3CCCc4cc(C)ccc43)nc(C)cc21.
What is the InChIKey of 6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline?
The InChIKey is IMBSIHXOFWCDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-5-17(6-2)26-19-13-15(4)22-21(20(19)23-24-26)25-11-7-8-16-12-14(3)9-10-18(16)25/h9-10,12-13,17H,5-8,11H2,1-4H3.
What are the key properties of 6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline?
6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline has a molecular weight of 349.48 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 70285979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).