1-(2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol;hydrochloride

C28H34ClN3O — CID 171351713

IUPAC1-(2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol;hydrochloride
SMILESCCN1CCc2c(c3ccccc3n2CC(O)Cn2c3c(c4ccccc42)CCCC3)C1.Cl
InChIInChI=1S/C28H33N3O.ClH/c1-2-29-16-15-28-24(19-29)23-11-5-8-14-27(23)31(28)18-20(32)17-30-25-12-6-3-9-21(25)22-10-4-7-13-26(22)30;/h3,5-6,8-9,11-12,14,20,32H,2,4,7,10,13,15-19H2,1H3;1H
InChIKeyOLDAQKWWBFGEIZ-UHFFFAOYSA-N
MW464.05 g/mol
LogP5.34
Rot. Bonds5

About 1-(2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol;hydrochloride

1-(2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol;hydrochloride (PubChem CID 171351713) has the molecular formula C28H34ClN3O and a molecular weight of 464.05 g/mol. Its IUPAC name is 1-(2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol;hydrochloride
PubChem CID171351713
Molecular FormulaC28H34ClN3O
Molecular Weight464.05 g/mol
Exact Mass463.24
IUPAC Name1-(2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol;hydrochloride
SMILESCCN1CCc2c(c3ccccc3n2CC(O)Cn2c3c(c4ccccc42)CCCC3)C1.Cl
InChIInChI=1S/C28H33N3O.ClH/c1-2-29-16-15-28-24(19-29)23-11-5-8-14-27(23)31(28)18-20(32)17-30-25-12-6-3-9-21(25)22-10-4-7-13-26(22)30;/h3,5-6,8-9,11-12,14,20,32H,2,4,7,10,13,15-19H2,1H3;1H
InChIKeyOLDAQKWWBFGEIZ-UHFFFAOYSA-N
XLogP5.34
TPSA33.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.05
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol;hydrochloride (CID 171351713) is 1-(2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol;hydrochloride is CCN1CCc2c(c3ccccc3n2CC(O)Cn2c3c(c4ccccc42)CCCC3)C1.Cl.
What is the InChIKey of 1-(2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol;hydrochloride?
The InChIKey is OLDAQKWWBFGEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O.ClH/c1-2-29-16-15-28-24(19-29)23-11-5-8-14-27(23)31(28)18-20(32)17-30-25-12-6-3-9-21(25)22-10-4-7-13-26(22)30;/h3,5-6,8-9,11-12,14,20,32H,2,4,7,10,13,15-19H2,1H3;1H.
What are the key properties of 1-(2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol;hydrochloride?
1-(2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol;hydrochloride has a molecular weight of 464.05 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 171351713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).