7-chloro-2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C21H24ClN3 — CID 68715484

IUPAC7-chloro-2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc(CCn2c3c(c4cc(C)c(Cl)cc42)CN(C)CC3)cn1
InChIInChI=1S/C21H24ClN3/c1-14-10-17-18-13-24(3)8-7-20(18)25(21(17)11-19(14)22)9-6-16-5-4-15(2)23-12-16/h4-5,10-12H,6-9,13H2,1-3H3
InChIKeyNDRMMXJIUIBLRB-UHFFFAOYSA-N
MW353.90 g/mol
LogP4.54
Rot. Bonds3

About 7-chloro-2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

7-chloro-2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 68715484) has the molecular formula C21H24ClN3 and a molecular weight of 353.90 g/mol. Its IUPAC name is 7-chloro-2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name7-chloro-2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID68715484
Molecular FormulaC21H24ClN3
Molecular Weight353.90 g/mol
Exact Mass353.17
IUPAC Name7-chloro-2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc(CCn2c3c(c4cc(C)c(Cl)cc42)CN(C)CC3)cn1
InChIInChI=1S/C21H24ClN3/c1-14-10-17-18-13-24(3)8-7-20(18)25(21(17)11-19(14)22)9-6-16-5-4-15(2)23-12-16/h4-5,10-12H,6-9,13H2,1-3H3
InChIKeyNDRMMXJIUIBLRB-UHFFFAOYSA-N
XLogP4.54
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 7-chloro-2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 68715484) is 7-chloro-2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 7-chloro-2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 7-chloro-2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1ccc(CCn2c3c(c4cc(C)c(Cl)cc42)CN(C)CC3)cn1.
What is the InChIKey of 7-chloro-2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is NDRMMXJIUIBLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3/c1-14-10-17-18-13-24(3)8-7-20(18)25(21(17)11-19(14)22)9-6-16-5-4-15(2)23-12-16/h4-5,10-12H,6-9,13H2,1-3H3.
What are the key properties of 7-chloro-2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
7-chloro-2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 353.90 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 68715484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).