4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[3,4-b]indole

C20H21N3 — CID 167434466

IUPAC4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[3,4-b]indole
SMILESc1cc2c(c(-c3cncc4[nH]c5c(c34)CCCC5)c1)CCNC2
InChIInChI=1S/C20H21N3/c1-2-7-18-16(5-1)20-17(11-22-12-19(20)23-18)15-6-3-4-13-10-21-9-8-14(13)15/h3-4,6,11-12,21,23H,1-2,5,7-10H2
InChIKeyDGLPRGOFWYMSBL-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.75
Rot. Bonds1

About 4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[3,4-b]indole

4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[3,4-b]indole (PubChem CID 167434466) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[3,4-b]indole
PubChem CID167434466
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[3,4-b]indole
SMILESc1cc2c(c(-c3cncc4[nH]c5c(c34)CCCC5)c1)CCNC2
InChIInChI=1S/C20H21N3/c1-2-7-18-16(5-1)20-17(11-22-12-19(20)23-18)15-6-3-4-13-10-21-9-8-14(13)15/h3-4,6,11-12,21,23H,1-2,5,7-10H2
InChIKeyDGLPRGOFWYMSBL-UHFFFAOYSA-N
XLogP3.75
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[3,4-b]indole with MolForge

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Related Compounds

5-(3-methyl-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 56877313
5-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 56861224
5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 56863104
5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 56880397
5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 114606074
5-pyrimidin-4-yl-1,2,3,4-tetrahydroisoquinoline
CID 146399003
5-[2-(2-methylpropyl)phenyl]-1,2,3,4-tetrahydroisoquinoline
CID 118428911
2-methylpropane;5-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145042992
5-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 104559526
8-(4-methylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 173177356
5-(5,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 104557785
5-(3-phenylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 142130689

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[3,4-b]indole?
The IUPAC name of 4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[3,4-b]indole (CID 167434466) is 4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[3,4-b]indole.
What is the SMILES notation for 4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[3,4-b]indole?
The canonical SMILES for 4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[3,4-b]indole is c1cc2c(c(-c3cncc4[nH]c5c(c34)CCCC5)c1)CCNC2.
What is the InChIKey of 4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[3,4-b]indole?
The InChIKey is DGLPRGOFWYMSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-2-7-18-16(5-1)20-17(11-22-12-19(20)23-18)15-6-3-4-13-10-21-9-8-14(13)15/h3-4,6,11-12,21,23H,1-2,5,7-10H2.
What are the key properties of 4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[3,4-b]indole?
4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[3,4-b]indole has a molecular weight of 303.41 g/mol, XLogP of 3.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-6,7,8,9-tetrahydro-5H-pyrido[3,4-b]indole is sourced from PubChem (CID 167434466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).