4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;hydrochloride

C26H25ClN2O — CID 66729535

IUPAC4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;hydrochloride
SMILESCc1nc2ccc(Oc3ccccc3)cc2c2c1CCN2CCc1ccccc1.Cl
InChIInChI=1S/C26H24N2O.ClH/c1-19-23-15-17-28(16-14-20-8-4-2-5-9-20)26(23)24-18-22(12-13-25(24)27-19)29-21-10-6-3-7-11-21;/h2-13,18H,14-17H2,1H3;1H
InChIKeyKDYDCOXZGLZNEA-UHFFFAOYSA-N
MW416.95 g/mol
LogP6.36
Rot. Bonds5

About 4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;hydrochloride

4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;hydrochloride (PubChem CID 66729535) has the molecular formula C26H25ClN2O and a molecular weight of 416.95 g/mol. Its IUPAC name is 4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;hydrochloride.

Molecular Properties

Compound Name4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;hydrochloride
PubChem CID66729535
Molecular FormulaC26H25ClN2O
Molecular Weight416.95 g/mol
Exact Mass416.17
IUPAC Name4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;hydrochloride
SMILESCc1nc2ccc(Oc3ccccc3)cc2c2c1CCN2CCc1ccccc1.Cl
InChIInChI=1S/C26H24N2O.ClH/c1-19-23-15-17-28(16-14-20-8-4-2-5-9-20)26(23)24-18-22(12-13-25(24)27-19)29-21-10-6-3-7-11-21;/h2-13,18H,14-17H2,1H3;1H
InChIKeyKDYDCOXZGLZNEA-UHFFFAOYSA-N
XLogP6.36
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.95
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;hydrochloride?
The IUPAC name of 4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;hydrochloride (CID 66729535) is 4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;hydrochloride.
What is the SMILES notation for 4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;hydrochloride?
The canonical SMILES for 4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;hydrochloride is Cc1nc2ccc(Oc3ccccc3)cc2c2c1CCN2CCc1ccccc1.Cl.
What is the InChIKey of 4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;hydrochloride?
The InChIKey is KDYDCOXZGLZNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O.ClH/c1-19-23-15-17-28(16-14-20-8-4-2-5-9-20)26(23)24-18-22(12-13-25(24)27-19)29-21-10-6-3-7-11-21;/h2-13,18H,14-17H2,1H3;1H.
What are the key properties of 4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;hydrochloride?
4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;hydrochloride has a molecular weight of 416.95 g/mol, XLogP of 6.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline;hydrochloride is sourced from PubChem (CID 66729535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).