[1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol

C26H23N3O — CID 175716075

IUPAC[1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol
SMILESCc1nc(CO)cc2c3cc(N(c4ccccc4)c4ccccc4)ccc3n(C)c12
InChIInChI=1S/C26H23N3O/c1-18-26-24(15-19(17-30)27-18)23-16-22(13-14-25(23)28(26)2)29(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,30H,17H2,1-2H3
InChIKeyITCQHVJPFQRDRN-UHFFFAOYSA-N
MW393.49 g/mol
LogP6.00
Rot. Bonds4

About [1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol

[1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol (PubChem CID 175716075) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is [1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol.

Molecular Properties

Compound Name[1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol
PubChem CID175716075
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Name[1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol
SMILESCc1nc(CO)cc2c3cc(N(c4ccccc4)c4ccccc4)ccc3n(C)c12
InChIInChI=1S/C26H23N3O/c1-18-26-24(15-19(17-30)27-18)23-16-22(13-14-25(23)28(26)2)29(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,30H,17H2,1-2H3
InChIKeyITCQHVJPFQRDRN-UHFFFAOYSA-N
XLogP6.00
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol?
The IUPAC name of [1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol (CID 175716075) is [1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol.
What is the SMILES notation for [1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol?
The canonical SMILES for [1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol is Cc1nc(CO)cc2c3cc(N(c4ccccc4)c4ccccc4)ccc3n(C)c12.
What is the InChIKey of [1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol?
The InChIKey is ITCQHVJPFQRDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c1-18-26-24(15-19(17-30)27-18)23-16-22(13-14-25(23)28(26)2)29(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,30H,17H2,1-2H3.
What are the key properties of [1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol?
[1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol has a molecular weight of 393.49 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,9-dimethyl-6-(N-phenylanilino)pyrido[3,4-b]indol-3-yl]methanol is sourced from PubChem (CID 175716075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).