6-(4-methoxyphenyl)-4-pentyl-9H-pyrido[2,3-b]indole

C23H24N2O — CID 68759369

IUPAC6-(4-methoxyphenyl)-4-pentyl-9H-pyrido[2,3-b]indole
SMILESCCCCCc1ccnc2[nH]c3ccc(-c4ccc(OC)cc4)cc3c12
InChIInChI=1S/C23H24N2O/c1-3-4-5-6-17-13-14-24-23-22(17)20-15-18(9-12-21(20)25-23)16-7-10-19(26-2)11-8-16/h7-15H,3-6H2,1-2H3,(H,24,25)
InChIKeyGSGXLYFOIKIBOF-UHFFFAOYSA-N
MW344.46 g/mol
LogP6.12
Rot. Bonds6

About 6-(4-methoxyphenyl)-4-pentyl-9H-pyrido[2,3-b]indole

6-(4-methoxyphenyl)-4-pentyl-9H-pyrido[2,3-b]indole (PubChem CID 68759369) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-4-pentyl-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-4-pentyl-9H-pyrido[2,3-b]indole
PubChem CID68759369
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name6-(4-methoxyphenyl)-4-pentyl-9H-pyrido[2,3-b]indole
SMILESCCCCCc1ccnc2[nH]c3ccc(-c4ccc(OC)cc4)cc3c12
InChIInChI=1S/C23H24N2O/c1-3-4-5-6-17-13-14-24-23-22(17)20-15-18(9-12-21(20)25-23)16-7-10-19(26-2)11-8-16/h7-15H,3-6H2,1-2H3,(H,24,25)
InChIKeyGSGXLYFOIKIBOF-UHFFFAOYSA-N
XLogP6.12
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-methoxyphenyl)-2-pentyl-9H-pyrido[2,3-b]indole
CID 68762162
5-[6-(furan-2-yl)-9H-pyrido[2,3-b]indol-4-yl]pentan-1-amine
CID 66766501
6-[1-(2-fluorophenyl)ethenyl]-4-pentyl-9H-pyrido[2,3-b]indole
CID 68762293
4-[(E)-hept-1-enyl]-6-(4-phenylphenyl)-9H-pyrido[2,3-b]indole
CID 68766438
6-methoxy-4-(4-methoxyphenyl)-9H-pyrimido[4,5-b]indole
CID 10470346
6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pentyl-9H-pyrido[2,3-b]indole
CID 68641087
2-chloro-3-hexyl-5-(4-methoxyphenyl)thiophene
CID 102205396
2-fluoro-1-(3-fluoro-4-pentylphenyl)-4-(4-methoxyphenyl)benzene
CID 23391170
1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
CID 145196769
4,7-di(tridecyl)-1,10-phenanthroline
CID 5194028
4,7-dihexyl-1,10-phenanthroline
CID 10904194
4,7-didodecyl-1,10-phenanthroline
CID 10098057

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-4-pentyl-9H-pyrido[2,3-b]indole?
The IUPAC name of 6-(4-methoxyphenyl)-4-pentyl-9H-pyrido[2,3-b]indole (CID 68759369) is 6-(4-methoxyphenyl)-4-pentyl-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 6-(4-methoxyphenyl)-4-pentyl-9H-pyrido[2,3-b]indole?
The canonical SMILES for 6-(4-methoxyphenyl)-4-pentyl-9H-pyrido[2,3-b]indole is CCCCCc1ccnc2[nH]c3ccc(-c4ccc(OC)cc4)cc3c12.
What is the InChIKey of 6-(4-methoxyphenyl)-4-pentyl-9H-pyrido[2,3-b]indole?
The InChIKey is GSGXLYFOIKIBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-3-4-5-6-17-13-14-24-23-22(17)20-15-18(9-12-21(20)25-23)16-7-10-19(26-2)11-8-16/h7-15H,3-6H2,1-2H3,(H,24,25).
What are the key properties of 6-(4-methoxyphenyl)-4-pentyl-9H-pyrido[2,3-b]indole?
6-(4-methoxyphenyl)-4-pentyl-9H-pyrido[2,3-b]indole has a molecular weight of 344.46 g/mol, XLogP of 6.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-4-pentyl-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 68759369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).