[9-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol

C22H22N2O4 — CID 127026626

IUPAC[9-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol
SMILESCOc1cc(Cn2c3ccccc3c3cc(CO)cnc32)cc(OC)c1OC
InChIInChI=1S/C22H22N2O4/c1-26-19-9-14(10-20(27-2)21(19)28-3)12-24-18-7-5-4-6-16(18)17-8-15(13-25)11-23-22(17)24/h4-11,25H,12-13H2,1-3H3
InChIKeyQEJCREJGTHAHAA-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.76
Rot. Bonds6

About [9-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol

[9-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol (PubChem CID 127026626) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is [9-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol.

Molecular Properties

Compound Name[9-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol
PubChem CID127026626
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name[9-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol
SMILESCOc1cc(Cn2c3ccccc3c3cc(CO)cnc32)cc(OC)c1OC
InChIInChI=1S/C22H22N2O4/c1-26-19-9-14(10-20(27-2)21(19)28-3)12-24-18-7-5-4-6-16(18)17-8-15(13-25)11-23-22(17)24/h4-11,25H,12-13H2,1-3H3
InChIKeyQEJCREJGTHAHAA-UHFFFAOYSA-N
XLogP3.76
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 53329979
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CID 53330148
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CID 2881820
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CID 22477349
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CID 44411305
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CID 46234188
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CID 68654838
CID 68654838

Frequently Asked Questions

What is the IUPAC name of [9-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol?
The IUPAC name of [9-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol (CID 127026626) is [9-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol.
What is the SMILES notation for [9-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol?
The canonical SMILES for [9-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol is COc1cc(Cn2c3ccccc3c3cc(CO)cnc32)cc(OC)c1OC.
What is the InChIKey of [9-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol?
The InChIKey is QEJCREJGTHAHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-26-19-9-14(10-20(27-2)21(19)28-3)12-24-18-7-5-4-6-16(18)17-8-15(13-25)11-23-22(17)24/h4-11,25H,12-13H2,1-3H3.
What are the key properties of [9-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol?
[9-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol has a molecular weight of 378.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-b]indol-3-yl]methanol is sourced from PubChem (CID 127026626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).