[2-(4,6-dimethyl-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenyl]methanamine;hydrochloride

C20H22ClN3 — CID 172754847

IUPAC[2-(4,6-dimethyl-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenyl]methanamine;hydrochloride
SMILESCc1nc2c(C)cccc2c2c1CCN2c1ccccc1CN.Cl
InChIInChI=1S/C20H21N3.ClH/c1-13-6-5-8-17-19(13)22-14(2)16-10-11-23(20(16)17)18-9-4-3-7-15(18)12-21;/h3-9H,10-12,21H2,1-2H3;1H
InChIKeyKWLZECWTPTZUKC-UHFFFAOYSA-N
MW339.87 g/mol
LogP4.43
Rot. Bonds2

About [2-(4,6-dimethyl-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenyl]methanamine;hydrochloride

[2-(4,6-dimethyl-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenyl]methanamine;hydrochloride (PubChem CID 172754847) has the molecular formula C20H22ClN3 and a molecular weight of 339.87 g/mol. Its IUPAC name is [2-(4,6-dimethyl-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(4,6-dimethyl-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenyl]methanamine;hydrochloride
PubChem CID172754847
Molecular FormulaC20H22ClN3
Molecular Weight339.87 g/mol
Exact Mass339.15
IUPAC Name[2-(4,6-dimethyl-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenyl]methanamine;hydrochloride
SMILESCc1nc2c(C)cccc2c2c1CCN2c1ccccc1CN.Cl
InChIInChI=1S/C20H21N3.ClH/c1-13-6-5-8-17-19(13)22-14(2)16-10-11-23(20(16)17)18-9-4-3-7-15(18)12-21;/h3-9H,10-12,21H2,1-2H3;1H
InChIKeyKWLZECWTPTZUKC-UHFFFAOYSA-N
XLogP4.43
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4,6-dimethyl-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenyl]methanamine;hydrochloride?
The IUPAC name of [2-(4,6-dimethyl-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenyl]methanamine;hydrochloride (CID 172754847) is [2-(4,6-dimethyl-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [2-(4,6-dimethyl-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [2-(4,6-dimethyl-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenyl]methanamine;hydrochloride is Cc1nc2c(C)cccc2c2c1CCN2c1ccccc1CN.Cl.
What is the InChIKey of [2-(4,6-dimethyl-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenyl]methanamine;hydrochloride?
The InChIKey is KWLZECWTPTZUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3.ClH/c1-13-6-5-8-17-19(13)22-14(2)16-10-11-23(20(16)17)18-9-4-3-7-15(18)12-21;/h3-9H,10-12,21H2,1-2H3;1H.
What are the key properties of [2-(4,6-dimethyl-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenyl]methanamine;hydrochloride?
[2-(4,6-dimethyl-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenyl]methanamine;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,6-dimethyl-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 172754847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).