2,8-dimethyl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole

C22H25N3 — CID 67378949

IUPAC2,8-dimethyl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2C2CNc3ccccc3C2)CCN(C)C1
InChIInChI=1S/C22H25N3/c1-15-7-8-21-18(11-15)19-14-24(2)10-9-22(19)25(21)17-12-16-5-3-4-6-20(16)23-13-17/h3-8,11,17,23H,9-10,12-14H2,1-2H3
InChIKeyZGHIANOKIGRZHC-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.15
Rot. Bonds1

About 2,8-dimethyl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole

2,8-dimethyl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 67378949) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2,8-dimethyl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2,8-dimethyl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID67378949
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name2,8-dimethyl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2C2CNc3ccccc3C2)CCN(C)C1
InChIInChI=1S/C22H25N3/c1-15-7-8-21-18(11-15)19-14-24(2)10-9-22(19)25(21)17-12-16-5-3-4-6-20(16)23-13-17/h3-8,11,17,23H,9-10,12-14H2,1-2H3
InChIKeyZGHIANOKIGRZHC-UHFFFAOYSA-N
XLogP4.15
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,8-dimethyl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2,8-dimethyl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 67378949) is 2,8-dimethyl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2,8-dimethyl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2,8-dimethyl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1ccc2c(c1)c1c(n2C2CNc3ccccc3C2)CCN(C)C1.
What is the InChIKey of 2,8-dimethyl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is ZGHIANOKIGRZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-15-7-8-21-18(11-15)19-14-24(2)10-9-22(19)25(21)17-12-16-5-3-4-6-20(16)23-13-17/h3-8,11,17,23H,9-10,12-14H2,1-2H3.
What are the key properties of 2,8-dimethyl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
2,8-dimethyl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 331.46 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 67378949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).