6-chloro-1-ethyl-8-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole

C20H17ClN2O — CID 134483403

IUPAC6-chloro-1-ethyl-8-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole
SMILESCCc1nccc2c1[nH]c1c(-c3ccc(OC)cc3)cc(Cl)cc12
InChIInChI=1S/C20H17ClN2O/c1-3-18-20-15(8-9-22-18)17-11-13(21)10-16(19(17)23-20)12-4-6-14(24-2)7-5-12/h4-11,23H,3H2,1-2H3
InChIKeyCNRCZTMSCYTROY-UHFFFAOYSA-N
MW336.82 g/mol
LogP5.61
Rot. Bonds3

About 6-chloro-1-ethyl-8-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole

6-chloro-1-ethyl-8-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole (PubChem CID 134483403) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is 6-chloro-1-ethyl-8-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-chloro-1-ethyl-8-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole
PubChem CID134483403
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC Name6-chloro-1-ethyl-8-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole
SMILESCCc1nccc2c1[nH]c1c(-c3ccc(OC)cc3)cc(Cl)cc12
InChIInChI=1S/C20H17ClN2O/c1-3-18-20-15(8-9-22-18)17-11-13(21)10-16(19(17)23-20)12-4-6-14(24-2)7-5-12/h4-11,23H,3H2,1-2H3
InChIKeyCNRCZTMSCYTROY-UHFFFAOYSA-N
XLogP5.61
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.82
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-7-methoxyisoquinoline
CID 119092688
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
1-ethyl-7-methoxy-9H-pyrido[3,4-b]indol-3-amine
CID 115044226
2,4-dichloro-5-(4-methoxyphenyl)pyrimidine
CID 19735441
6-chloro-4-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole
CID 86188129
1-[3-[3,5-bis(4-ethylphenyl)phenyl]-5-fluorophenyl]-5-(4-methoxyphenyl)isoquinoline
CID 59512916
5-(4-methoxyphenyl)-7-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene
CID 67216797
1,2,3,6,7-pentakis(4-methoxyphenyl)-9H-carbazole
CID 122366134
6-chloro-2-(4-chlorophenyl)-4-(4-methoxyphenyl)quinoline
CID 12026464
3-ethyl-4-(4-methoxyphenyl)-1-methylpyrazole
CID 70834828
1-(4-methoxyphenyl)-2-(9H-pyrido[3,4-b]indol-1-yl)ethanol
CID 5358763
6-(4-methoxyphenyl)-4-pentyl-9H-pyrido[2,3-b]indole
CID 68759369

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-8-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole?
The IUPAC name of 6-chloro-1-ethyl-8-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole (CID 134483403) is 6-chloro-1-ethyl-8-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-chloro-1-ethyl-8-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 6-chloro-1-ethyl-8-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole is CCc1nccc2c1[nH]c1c(-c3ccc(OC)cc3)cc(Cl)cc12.
What is the InChIKey of 6-chloro-1-ethyl-8-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole?
The InChIKey is CNRCZTMSCYTROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c1-3-18-20-15(8-9-22-18)17-11-13(21)10-16(19(17)23-20)12-4-6-14(24-2)7-5-12/h4-11,23H,3H2,1-2H3.
What are the key properties of 6-chloro-1-ethyl-8-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole?
6-chloro-1-ethyl-8-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole has a molecular weight of 336.82 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethyl-8-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 134483403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).