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

C21H19N3O — CID 4021262

IUPAC6-methoxy-1-quinolin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESCOc1ccc2[nH]c3c(c2c1)CCNC3c1ccc2ccccc2n1
InChIInChI=1S/C21H19N3O/c1-25-14-7-9-18-16(12-14)15-10-11-22-21(20(15)24-18)19-8-6-13-4-2-3-5-17(13)23-19/h2-9,12,21-22,24H,10-11H2,1H3
InChIKeySNBISMPMGFPJGF-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.96
Rot. Bonds2

About 6-methoxy-1-quinolin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

6-methoxy-1-quinolin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (PubChem CID 4021262) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-methoxy-1-quinolin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-methoxy-1-quinolin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
PubChem CID4021262
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name6-methoxy-1-quinolin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESCOc1ccc2[nH]c3c(c2c1)CCNC3c1ccc2ccccc2n1
InChIInChI=1S/C21H19N3O/c1-25-14-7-9-18-16(12-14)15-10-11-22-21(20(15)24-18)19-8-6-13-4-2-3-5-17(13)23-19/h2-9,12,21-22,24H,10-11H2,1H3
InChIKeySNBISMPMGFPJGF-UHFFFAOYSA-N
XLogP3.96
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3337812
2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline
CID 4317391
1-(2-iodophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 5129142
6-methoxy-1-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3668532
1-isoquinolin-6-yl-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4600398
acetic acid;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 52993556
1-(2-chloro-4-methoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3986399
6-methoxy-1-(2,4,5-trimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3481169
6-ethoxy-1-pyridin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4234860
1-(2-ethoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3970938
(1S)-1-(3,4-dimethoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 7048356
ethane;6-methoxy-1-(4-phenylmethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 143111398

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-quinolin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 6-methoxy-1-quinolin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (CID 4021262) is 6-methoxy-1-quinolin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-methoxy-1-quinolin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 6-methoxy-1-quinolin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is COc1ccc2[nH]c3c(c2c1)CCNC3c1ccc2ccccc2n1.
What is the InChIKey of 6-methoxy-1-quinolin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The InChIKey is SNBISMPMGFPJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-25-14-7-9-18-16(12-14)15-10-11-22-21(20(15)24-18)19-8-6-13-4-2-3-5-17(13)23-19/h2-9,12,21-22,24H,10-11H2,1H3.
What are the key properties of 6-methoxy-1-quinolin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
6-methoxy-1-quinolin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole has a molecular weight of 329.40 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-quinolin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 4021262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).