9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole

C19H15ClN2 — CID 17039129

IUPAC9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole
SMILESCc1nccc2c3ccccc3n(Cc3ccc(Cl)cc3)c12
InChIInChI=1S/C19H15ClN2/c1-13-19-17(10-11-21-13)16-4-2-3-5-18(16)22(19)12-14-6-8-15(20)9-7-14/h2-11H,12H2,1H3
InChIKeyCGYFXUQBUAQGQL-UHFFFAOYSA-N
MW306.80 g/mol
LogP5.20
Rot. Bonds2

About 9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole

9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole (PubChem CID 17039129) has the molecular formula C19H15ClN2 and a molecular weight of 306.80 g/mol. Its IUPAC name is 9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole
PubChem CID17039129
Molecular FormulaC19H15ClN2
Molecular Weight306.80 g/mol
Exact Mass306.09
IUPAC Name9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole
SMILESCc1nccc2c3ccccc3n(Cc3ccc(Cl)cc3)c12
InChIInChI=1S/C19H15ClN2/c1-13-19-17(10-11-21-13)16-4-2-3-5-18(16)22(19)12-14-6-8-15(20)9-7-14/h2-11H,12H2,1H3
InChIKeyCGYFXUQBUAQGQL-UHFFFAOYSA-N
XLogP5.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.80
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-methylpyrido[3,4-b]indol-9-yl)methyl]benzoic acid
CID 143936876
1-methyl-9-(pyridin-3-ylmethyl)pyrido[3,4-b]indole
CID 156780758
1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole
CID 71539374
9-[(4-chlorophenyl)methyl]carbazole
CID 15206746
9-[(4-chlorophenyl)methyl]pyrido[3,4-b]indole
CID 141321459
N-[[9-[(4-chlorophenyl)methyl]pyrido[3,4-b]indol-1-yl]methyl]-N',N'-diethylbutane-1,4-diamine
CID 141311528
1-methyl-9-(2-piperidin-1-ylethyl)pyrido[3,4-b]indole
CID 144721935
9-[(3-chlorophenyl)methyl]-1-(2-methylpropyl)pyrido[3,4-b]indole
CID 175287201
1-[9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indol-1-yl]-2-[[9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indol-1-yl]methyl]hexan-2-amine
CID 175011896
N,N'-bis[[9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indol-1-yl]methyl]propane-1,3-diamine;hydrochloride
CID 134130879
N,N'-bis[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]hexane-1,6-diamine
CID 134130211
1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-b]pyridine
CID 67984828

Frequently Asked Questions

What is the IUPAC name of 9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole?
The IUPAC name of 9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole (CID 17039129) is 9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole.
What is the SMILES notation for 9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole?
The canonical SMILES for 9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole is Cc1nccc2c3ccccc3n(Cc3ccc(Cl)cc3)c12.
What is the InChIKey of 9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole?
The InChIKey is CGYFXUQBUAQGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2/c1-13-19-17(10-11-21-13)16-4-2-3-5-18(16)22(19)12-14-6-8-15(20)9-7-14/h2-11H,12H2,1H3.
What are the key properties of 9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole?
9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole has a molecular weight of 306.80 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole is sourced from PubChem (CID 17039129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).