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

C18H13ClN2 — CID 141321459

IUPAC9-[(4-chlorophenyl)methyl]pyrido[3,4-b]indole
SMILESClc1ccc(Cn2c3ccccc3c3ccncc32)cc1
InChIInChI=1S/C18H13ClN2/c19-14-7-5-13(6-8-14)12-21-17-4-2-1-3-15(17)16-9-10-20-11-18(16)21/h1-11H,12H2
InChIKeyGTFSKMSURSZLTB-UHFFFAOYSA-N
MW292.77 g/mol
LogP4.89
Rot. Bonds2

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

9-[(4-chlorophenyl)methyl]pyrido[3,4-b]indole (PubChem CID 141321459) has the molecular formula C18H13ClN2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 9-[(4-chlorophenyl)methyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[(4-chlorophenyl)methyl]pyrido[3,4-b]indole
PubChem CID141321459
Molecular FormulaC18H13ClN2
Molecular Weight292.77 g/mol
Exact Mass292.08
IUPAC Name9-[(4-chlorophenyl)methyl]pyrido[3,4-b]indole
SMILESClc1ccc(Cn2c3ccccc3c3ccncc32)cc1
InChIInChI=1S/C18H13ClN2/c19-14-7-5-13(6-8-14)12-21-17-4-2-1-3-15(17)16-9-10-20-11-18(16)21/h1-11H,12H2
InChIKeyGTFSKMSURSZLTB-UHFFFAOYSA-N
XLogP4.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indole
CID 141321511
9-[(4-chlorophenyl)methyl]carbazole
CID 15206746
9-(2-phenylethyl)pyrido[3,4-b]indole
CID 162417840
9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole
CID 17039129
9-prop-2-enylpyrido[3,4-b]indole
CID 53258041
9-pyrido[3,4-b]indol-9-ylpyrido[3,4-b]indole
CID 86059681
3-pyrido[3,4-b]indol-9-ylpropanenitrile
CID 91665992
9-benzyl-7-methoxypyrido[3,4-b]indole
CID 68940620
9-[[6-[5-(carbazol-9-ylmethyl)-2-pyridinyl]-3-pyridinyl]methyl]carbazole
CID 118352521
6-methoxy-9-[(4-methylphenyl)methyl]pyrido[3,4-b]indole
CID 170621370
1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 1241199
9H-pyrido[3,4-b]indole;9-(pyrido[3,4-b]indol-9-ylmethyl)pyrido[3,4-b]indole
CID 159979845

Frequently Asked Questions

What is the IUPAC name of 9-[(4-chlorophenyl)methyl]pyrido[3,4-b]indole?
The IUPAC name of 9-[(4-chlorophenyl)methyl]pyrido[3,4-b]indole (CID 141321459) is 9-[(4-chlorophenyl)methyl]pyrido[3,4-b]indole.
What is the SMILES notation for 9-[(4-chlorophenyl)methyl]pyrido[3,4-b]indole?
The canonical SMILES for 9-[(4-chlorophenyl)methyl]pyrido[3,4-b]indole is Clc1ccc(Cn2c3ccccc3c3ccncc32)cc1.
What is the InChIKey of 9-[(4-chlorophenyl)methyl]pyrido[3,4-b]indole?
The InChIKey is GTFSKMSURSZLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2/c19-14-7-5-13(6-8-14)12-21-17-4-2-1-3-15(17)16-9-10-20-11-18(16)21/h1-11H,12H2.
What are the key properties of 9-[(4-chlorophenyl)methyl]pyrido[3,4-b]indole?
9-[(4-chlorophenyl)methyl]pyrido[3,4-b]indole has a molecular weight of 292.77 g/mol, XLogP of 4.89, 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]pyrido[3,4-b]indole is sourced from PubChem (CID 141321459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).