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

C21H26ClN5 — CID 18629237

IUPAC8-chloro-6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline
SMILESCCC(CC)n1nnc2c(N3CCCc4cc(C)cc(Cl)c43)nc(C)cc21
InChIInChI=1S/C21H26ClN5/c1-5-16(6-2)27-18-12-14(4)23-21(19(18)24-25-27)26-9-7-8-15-10-13(3)11-17(22)20(15)26/h10-12,16H,5-9H2,1-4H3
InChIKeyCZNJFLAMGPPDRP-UHFFFAOYSA-N
MW383.93 g/mol
LogP5.54
Rot. Bonds4

About 8-chloro-6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline

8-chloro-6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline (PubChem CID 18629237) has the molecular formula C21H26ClN5 and a molecular weight of 383.93 g/mol. Its IUPAC name is 8-chloro-6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name8-chloro-6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline
PubChem CID18629237
Molecular FormulaC21H26ClN5
Molecular Weight383.93 g/mol
Exact Mass383.19
IUPAC Name8-chloro-6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline
SMILESCCC(CC)n1nnc2c(N3CCCc4cc(C)cc(Cl)c43)nc(C)cc21
InChIInChI=1S/C21H26ClN5/c1-5-16(6-2)27-18-12-14(4)23-21(19(18)24-25-27)26-9-7-8-15-10-13(3)11-17(22)20(15)26/h10-12,16H,5-9H2,1-4H3
InChIKeyCZNJFLAMGPPDRP-UHFFFAOYSA-N
XLogP5.54
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.93
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline
CID 70285979
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
4-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)-6-methyltriazolo[4,5-c]pyridine
CID 70101713
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-(7-chloro-5-ethyl-2,3-dihydroindol-1-yl)-1-[(2R)-1,4-dimethoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine
CID 57103017
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-bromo-4-[1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridin-4-yl]-7-methyl-2,3-dihydro-1,4-benzoxazine
CID 57265244
4-chloro-1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridine
CID 18629214
4-(5,7-dibromo-2,3-dihydroindol-1-yl)-1,6-dimethyltriazolo[4,5-c]pyridine
CID 20662565
1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-6-methyl-3,4-dihydro-2H-quinoline
CID 63445814
N-(2-bromo-4,6-dimethoxyphenyl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-amine
CID 12051985

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 8-chloro-6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline (CID 18629237) is 8-chloro-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 8-chloro-6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 8-chloro-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)cc(Cl)c43)nc(C)cc21.
What is the InChIKey of 8-chloro-6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline?
The InChIKey is CZNJFLAMGPPDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5/c1-5-16(6-2)27-18-12-14(4)23-21(19(18)24-25-27)26-9-7-8-15-10-13(3)11-17(22)20(15)26/h10-12,16H,5-9H2,1-4H3.
What are the key properties of 8-chloro-6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline?
8-chloro-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 383.93 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-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 18629237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).