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

C19H15ClN2 — CID 134483619

IUPAC6-chloro-1-methyl-8-(4-methylphenyl)-9H-pyrido[3,4-b]indole
SMILESCc1ccc(-c2cc(Cl)cc3c2[nH]c2c(C)nccc23)cc1
InChIInChI=1S/C19H15ClN2/c1-11-3-5-13(6-4-11)16-9-14(20)10-17-15-7-8-21-12(2)18(15)22-19(16)17/h3-10,22H,1-2H3
InChIKeyASOXIOJOEIWVDE-UHFFFAOYSA-N
MW306.80 g/mol
LogP5.65
Rot. Bonds1

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

6-chloro-1-methyl-8-(4-methylphenyl)-9H-pyrido[3,4-b]indole (PubChem CID 134483619) has the molecular formula C19H15ClN2 and a molecular weight of 306.80 g/mol. Its IUPAC name is 6-chloro-1-methyl-8-(4-methylphenyl)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-chloro-1-methyl-8-(4-methylphenyl)-9H-pyrido[3,4-b]indole
PubChem CID134483619
Molecular FormulaC19H15ClN2
Molecular Weight306.80 g/mol
Exact Mass306.09
IUPAC Name6-chloro-1-methyl-8-(4-methylphenyl)-9H-pyrido[3,4-b]indole
SMILESCc1ccc(-c2cc(Cl)cc3c2[nH]c2c(C)nccc23)cc1
InChIInChI=1S/C19H15ClN2/c1-11-3-5-13(6-4-11)16-9-14(20)10-17-15-7-8-21-12(2)18(15)22-19(16)17/h3-10,22H,1-2H3
InChIKeyASOXIOJOEIWVDE-UHFFFAOYSA-N
XLogP5.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.80
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-1-methyl-8-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-9H-pyrido[3,4-b]indole
CID 134483324
6-chloro-1-methyl-8-[3-methyl-4-(oxolan-3-yloxy)phenyl]-9H-pyrido[3,4-b]indole
CID 134483570
6-chloro-1-ethyl-8-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole
CID 134483403
6-chloro-8-[3-(isoquinolin-1-ylmethoxy)phenyl]-1-methyl-9H-pyrido[3,4-b]indole
CID 134483524
3,6-dimethyl-1,8-diphenyl-9H-carbazole
CID 71440735
[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methanol
CID 57334587
6-(1H-indol-5-yl)-1-methyl-9H-pyrido[3,4-b]indole
CID 57336206
magnesium;7-methoxy-1-methyl-8,9-dihydropyrido[3,4-b]indol-8-ide;iodide
CID 54683866
3-(3,5-dichlorophenyl)-2-methylpyridine
CID 90167646
2-chloro-3-(4-methylphenyl)pyridine
CID 82076857
1-[3-(1-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]ethanol
CID 57336062
iodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
CID 25113429

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-8-(4-methylphenyl)-9H-pyrido[3,4-b]indole?
The IUPAC name of 6-chloro-1-methyl-8-(4-methylphenyl)-9H-pyrido[3,4-b]indole (CID 134483619) is 6-chloro-1-methyl-8-(4-methylphenyl)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-chloro-1-methyl-8-(4-methylphenyl)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 6-chloro-1-methyl-8-(4-methylphenyl)-9H-pyrido[3,4-b]indole is Cc1ccc(-c2cc(Cl)cc3c2[nH]c2c(C)nccc23)cc1.
What is the InChIKey of 6-chloro-1-methyl-8-(4-methylphenyl)-9H-pyrido[3,4-b]indole?
The InChIKey is ASOXIOJOEIWVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2/c1-11-3-5-13(6-4-11)16-9-14(20)10-17-15-7-8-21-12(2)18(15)22-19(16)17/h3-10,22H,1-2H3.
What are the key properties of 6-chloro-1-methyl-8-(4-methylphenyl)-9H-pyrido[3,4-b]indole?
6-chloro-1-methyl-8-(4-methylphenyl)-9H-pyrido[3,4-b]indole has a molecular weight of 306.80 g/mol, XLogP of 5.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-8-(4-methylphenyl)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 134483619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).