1-quinolin-8-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

C20H17N3 — CID 3632369

IUPAC1-quinolin-8-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESc1cnc2c(C3NCCc4c3[nH]c3ccccc43)cccc2c1
InChIInChI=1S/C20H17N3/c1-2-9-17-14(7-1)15-10-12-22-19(20(15)23-17)16-8-3-5-13-6-4-11-21-18(13)16/h1-9,11,19,22-23H,10,12H2
InChIKeyMFLKAHOBCOBBJX-UHFFFAOYSA-N
MW299.38 g/mol
LogP3.95
Rot. Bonds1

About 1-quinolin-8-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

1-quinolin-8-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (PubChem CID 3632369) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-quinolin-8-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-quinolin-8-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
PubChem CID3632369
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name1-quinolin-8-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESc1cnc2c(C3NCCc4c3[nH]c3ccccc43)cccc2c1
InChIInChI=1S/C20H17N3/c1-2-9-17-14(7-1)15-10-12-22-19(20(15)23-17)16-8-3-5-13-6-4-11-21-18(13)16/h1-9,11,19,22-23H,10,12H2
InChIKeyMFLKAHOBCOBBJX-UHFFFAOYSA-N
XLogP3.95
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-quinolin-8-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 1-quinolin-8-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (CID 3632369) is 1-quinolin-8-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-quinolin-8-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 1-quinolin-8-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is c1cnc2c(C3NCCc4c3[nH]c3ccccc43)cccc2c1.
What is the InChIKey of 1-quinolin-8-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The InChIKey is MFLKAHOBCOBBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-2-9-17-14(7-1)15-10-12-22-19(20(15)23-17)16-8-3-5-13-6-4-11-21-18(13)16/h1-9,11,19,22-23H,10,12H2.
What are the key properties of 1-quinolin-8-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
1-quinolin-8-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole has a molecular weight of 299.38 g/mol, XLogP of 3.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-8-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 3632369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).