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

C21H26ClN5O — CID 70024309

IUPAC8-chloro-1-[1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridin-4-yl]-6-methyl-3,4-dihydro-2H-quinoline
SMILESCC[C@H](COC)n1nnc2c(N3CCCc4cc(C)cc(Cl)c43)nc(C)cc21
InChIInChI=1S/C21H26ClN5O/c1-5-16(12-28-4)27-18-11-14(3)23-21(19(18)24-25-27)26-8-6-7-15-9-13(2)10-17(22)20(15)26/h9-11,16H,5-8,12H2,1-4H3/t16-/m1/s1
InChIKeyIQDANAVZSBRMBL-MRXNPFEDSA-N
MW399.93 g/mol
LogP4.78
Rot. Bonds5

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

8-chloro-1-[1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridin-4-yl]-6-methyl-3,4-dihydro-2H-quinoline (PubChem CID 70024309) has the molecular formula C21H26ClN5O and a molecular weight of 399.93 g/mol. Its IUPAC name is 8-chloro-1-[1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridin-4-yl]-6-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name8-chloro-1-[1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridin-4-yl]-6-methyl-3,4-dihydro-2H-quinoline
PubChem CID70024309
Molecular FormulaC21H26ClN5O
Molecular Weight399.93 g/mol
Exact Mass399.18
IUPAC Name8-chloro-1-[1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridin-4-yl]-6-methyl-3,4-dihydro-2H-quinoline
SMILESCC[C@H](COC)n1nnc2c(N3CCCc4cc(C)cc(Cl)c43)nc(C)cc21
InChIInChI=1S/C21H26ClN5O/c1-5-16(12-28-4)27-18-11-14(3)23-21(19(18)24-25-27)26-8-6-7-15-9-13(2)10-17(22)20(15)26/h9-11,16H,5-8,12H2,1-4H3/t16-/m1/s1
InChIKeyIQDANAVZSBRMBL-MRXNPFEDSA-N
XLogP4.78
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.93
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-chloro-1-[1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridin-4-yl]-6-methyl-3,4-dihydro-2H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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-(5,7-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
7-chloro-1-[1-[(2R)-1,4-dimethoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridin-4-yl]-2,3-dihydroindole-5-carbonitrile
CID 57194734
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
6-methyl-1-(6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridin-4-yl)-3,4-dihydro-2H-quinoline
CID 70285979
4-chloro-1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridine
CID 18629214
CID 89383890
CID 89383890
4-(5,7-dibromo-2,3-dihydroindol-1-yl)-1,6-dimethyltriazolo[4,5-c]pyridine
CID 20662565

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-[1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridin-4-yl]-6-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 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) is 8-chloro-1-[1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridin-4-yl]-6-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 8-chloro-1-[1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridin-4-yl]-6-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 8-chloro-1-[1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridin-4-yl]-6-methyl-3,4-dihydro-2H-quinoline is CC[C@H](COC)n1nnc2c(N3CCCc4cc(C)cc(Cl)c43)nc(C)cc21.
What is the InChIKey of 8-chloro-1-[1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridin-4-yl]-6-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is IQDANAVZSBRMBL-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26ClN5O/c1-5-16(12-28-4)27-18-11-14(3)23-21(19(18)24-25-27)26-8-6-7-15-9-13(2)10-17(22)20(15)26/h9-11,16H,5-8,12H2,1-4H3/t16-/m1/s1.
What are the key properties of 8-chloro-1-[1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridin-4-yl]-6-methyl-3,4-dihydro-2H-quinoline?
8-chloro-1-[1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridin-4-yl]-6-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 399.93 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-[1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridin-4-yl]-6-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 70024309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).