9-(cyclohexylmethyl)-9H-pyrido[4,3-b]indole

C18H20N2 — CID 142740008

IUPAC9-(cyclohexylmethyl)-9H-pyrido[4,3-b]indole
SMILESC1=CC(CC2CCCCC2)C2=c3cnccc3=NC2=C1
InChIInChI=1S/C18H20N2/c1-2-5-13(6-3-1)11-14-7-4-8-17-18(14)15-12-19-10-9-16(15)20-17/h4,7-10,12-14H,1-3,5-6,11H2
InChIKeyHOPFQHQRSORBDU-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.91
Rot. Bonds2

About 9-(cyclohexylmethyl)-9H-pyrido[4,3-b]indole

9-(cyclohexylmethyl)-9H-pyrido[4,3-b]indole (PubChem CID 142740008) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 9-(cyclohexylmethyl)-9H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name9-(cyclohexylmethyl)-9H-pyrido[4,3-b]indole
PubChem CID142740008
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name9-(cyclohexylmethyl)-9H-pyrido[4,3-b]indole
SMILESC1=CC(CC2CCCCC2)C2=c3cnccc3=NC2=C1
InChIInChI=1S/C18H20N2/c1-2-5-13(6-3-1)11-14-7-4-8-17-18(14)15-12-19-10-9-16(15)20-17/h4,7-10,12-14H,1-3,5-6,11H2
InChIKeyHOPFQHQRSORBDU-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

Analyze 9-(cyclohexylmethyl)-9H-pyrido[4,3-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hexahydro-5h-indolo[3,2-c]acridine
CID 132493843
8,9,10,11-Tetrahydro-7h-7,11-propanonaphtho-[1,8-bc][1,5]diazocine
CID 155387797
6,8,9,10,10a,10b-Hexahydroindolo[4,3-fg]quinoline
CID 54016915
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
4,6,7,7a-Tetrahydropyrrolo[2,3-f]indole
CID 57008412
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
(1Z)-14,18,21-triazapentacyclo[11.5.5.04,17.07,16.010,15]tricosa-1(19),2,6,8,10(15),13,17,21-octaene
CID 89884030
2,3,3a,4,5,10a-Hexahydropyrrolo[2,3-g][3]benzazepine
CID 90940119
3-methyl-2-(7-methyl-3aH-indol-3-yl)-3aH-indole
CID 138706754
7,11-dihydro-6H-indeno[1,2-c][1,7]naphthyridine
CID 139950886
N-(cyclohexylmethyl)-2-(6,7-dihydro-5H-indol-5-yl)-N-methylethanamine
CID 141165638

Frequently Asked Questions

What is the IUPAC name of 9-(cyclohexylmethyl)-9H-pyrido[4,3-b]indole?
The IUPAC name of 9-(cyclohexylmethyl)-9H-pyrido[4,3-b]indole (CID 142740008) is 9-(cyclohexylmethyl)-9H-pyrido[4,3-b]indole.
What is the SMILES notation for 9-(cyclohexylmethyl)-9H-pyrido[4,3-b]indole?
The canonical SMILES for 9-(cyclohexylmethyl)-9H-pyrido[4,3-b]indole is C1=CC(CC2CCCCC2)C2=c3cnccc3=NC2=C1.
What is the InChIKey of 9-(cyclohexylmethyl)-9H-pyrido[4,3-b]indole?
The InChIKey is HOPFQHQRSORBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-2-5-13(6-3-1)11-14-7-4-8-17-18(14)15-12-19-10-9-16(15)20-17/h4,7-10,12-14H,1-3,5-6,11H2.
What are the key properties of 9-(cyclohexylmethyl)-9H-pyrido[4,3-b]indole?
9-(cyclohexylmethyl)-9H-pyrido[4,3-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[4,3-b]indole is sourced from PubChem (CID 142740008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).