5,7-dimethyl-1-(4-phenoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

C25H24N2O — CID 4042390

IUPAC5,7-dimethyl-1-(4-phenoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESCc1cc(C)c2c3c([nH]c2c1)C(c1ccc(Oc2ccccc2)cc1)NCC3
InChIInChI=1S/C25H24N2O/c1-16-14-17(2)23-21-12-13-26-24(25(21)27-22(23)15-16)18-8-10-20(11-9-18)28-19-6-4-3-5-7-19/h3-11,14-15,24,26-27H,12-13H2,1-2H3
InChIKeyBEBGCYWFRGSJOT-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.81
Rot. Bonds3

About 5,7-dimethyl-1-(4-phenoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

5,7-dimethyl-1-(4-phenoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (PubChem CID 4042390) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 5,7-dimethyl-1-(4-phenoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name5,7-dimethyl-1-(4-phenoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
PubChem CID4042390
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name5,7-dimethyl-1-(4-phenoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESCc1cc(C)c2c3c([nH]c2c1)C(c1ccc(Oc2ccccc2)cc1)NCC3
InChIInChI=1S/C25H24N2O/c1-16-14-17(2)23-21-12-13-26-24(25(21)27-22(23)15-16)18-8-10-20(11-9-18)28-19-6-4-3-5-7-19/h3-11,14-15,24,26-27H,12-13H2,1-2H3
InChIKeyBEBGCYWFRGSJOT-UHFFFAOYSA-N
XLogP5.81
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5,7-dimethyl-1-(4-phenoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole with MolForge

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Related Compounds

1-(3-fluoro-5-methylphenyl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3280315
1-(2-iodophenyl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3953952
1-(1,3-benzodioxol-5-yl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 5222476
1-(2,4-dimethylphenyl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4274645
6-ethoxy-1-(3-phenoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4242190
1-(5-chloro-2-methoxy-3-methylphenyl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3973875
6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3337812
1-(3-methoxyphenyl)-6,8-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4556741
6-fluoro-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4000308
1-(4-butoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3912406
acetic acid;6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 52993556
1-(3-bromo-5-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 5194964

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1-(4-phenoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 5,7-dimethyl-1-(4-phenoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (CID 4042390) is 5,7-dimethyl-1-(4-phenoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 5,7-dimethyl-1-(4-phenoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 5,7-dimethyl-1-(4-phenoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is Cc1cc(C)c2c3c([nH]c2c1)C(c1ccc(Oc2ccccc2)cc1)NCC3.
What is the InChIKey of 5,7-dimethyl-1-(4-phenoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The InChIKey is BEBGCYWFRGSJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-16-14-17(2)23-21-12-13-26-24(25(21)27-22(23)15-16)18-8-10-20(11-9-18)28-19-6-4-3-5-7-19/h3-11,14-15,24,26-27H,12-13H2,1-2H3.
What are the key properties of 5,7-dimethyl-1-(4-phenoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
5,7-dimethyl-1-(4-phenoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole has a molecular weight of 368.48 g/mol, XLogP of 5.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1-(4-phenoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 4042390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).