9-(cyclohexylmethyl)-9H-pyrido[3,2-b]indole

C18H20N2 — CID 142740010

IUPAC9-(cyclohexylmethyl)-9H-pyrido[3,2-b]indole
SMILESC1=CC(CC2CCCCC2)C2=c3ncccc3=NC2=C1
InChIInChI=1S/C18H20N2/c1-2-6-13(7-3-1)12-14-8-4-9-15-17(14)18-16(20-15)10-5-11-19-18/h4-5,8-11,13-14H,1-3,6-7,12H2
InChIKeyXJARZPDXZCDZSL-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.91
Rot. Bonds2

About 9-(cyclohexylmethyl)-9H-pyrido[3,2-b]indole

9-(cyclohexylmethyl)-9H-pyrido[3,2-b]indole (PubChem CID 142740010) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 9-(cyclohexylmethyl)-9H-pyrido[3,2-b]indole.

Molecular Properties

Compound Name9-(cyclohexylmethyl)-9H-pyrido[3,2-b]indole
PubChem CID142740010
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name9-(cyclohexylmethyl)-9H-pyrido[3,2-b]indole
SMILESC1=CC(CC2CCCCC2)C2=c3ncccc3=NC2=C1
InChIInChI=1S/C18H20N2/c1-2-6-13(7-3-1)12-14-8-4-9-15-17(14)18-16(20-15)10-5-11-19-18/h4-5,8-11,13-14H,1-3,6-7,12H2
InChIKeyXJARZPDXZCDZSL-UHFFFAOYSA-N
XLogP2.91
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-Methyl-6-(3-methylbut-1-enyl)-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
CID 56635976
4-Methyl-6-prop-2-enyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
CID 57170989
2,3,4,4a,5,6-hexahydro-1H-benzo[a]carbazole
CID 87766675
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CID 141205013
9-(cyclohexylmethyl)-9H-pyrido[4,3-b]indole
CID 142740008
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CID 143056595
(Z)-2-[7-(cyclohexylmethyl)-3aH-pyrrolo[2,3-c]pyridin-3-yl]-N-ethylbut-2-en-1-imine;ethane
CID 143756250
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Frequently Asked Questions

What is the IUPAC name of 9-(cyclohexylmethyl)-9H-pyrido[3,2-b]indole?
The IUPAC name of 9-(cyclohexylmethyl)-9H-pyrido[3,2-b]indole (CID 142740010) is 9-(cyclohexylmethyl)-9H-pyrido[3,2-b]indole.
What is the SMILES notation for 9-(cyclohexylmethyl)-9H-pyrido[3,2-b]indole?
The canonical SMILES for 9-(cyclohexylmethyl)-9H-pyrido[3,2-b]indole is C1=CC(CC2CCCCC2)C2=c3ncccc3=NC2=C1.
What is the InChIKey of 9-(cyclohexylmethyl)-9H-pyrido[3,2-b]indole?
The InChIKey is XJARZPDXZCDZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-2-6-13(7-3-1)12-14-8-4-9-15-17(14)18-16(20-15)10-5-11-19-18/h4-5,8-11,13-14H,1-3,6-7,12H2.
What are the key properties of 9-(cyclohexylmethyl)-9H-pyrido[3,2-b]indole?
9-(cyclohexylmethyl)-9H-pyrido[3,2-b]indole has a molecular weight of 264.37 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclohexylmethyl)-9H-pyrido[3,2-b]indole is sourced from PubChem (CID 142740010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).