9,9-dimethyl-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)acridine;hydrochloride

C20H23ClN2 — CID 3044166

IUPAC9,9-dimethyl-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)acridine;hydrochloride
SMILESCC1CCC(N2c3ccccc3C(C)(C)c3ccccc32)=N1.Cl
InChIInChI=1S/C20H22N2.ClH/c1-14-12-13-19(21-14)22-17-10-6-4-8-15(17)20(2,3)16-9-5-7-11-18(16)22;/h4-11,14H,12-13H2,1-3H3;1H
InChIKeyGKOMHLQYCJIFLB-UHFFFAOYSA-N
MW326.87 g/mol
LogP5.47
Rot. Bonds

About 9,9-dimethyl-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)acridine;hydrochloride

9,9-dimethyl-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)acridine;hydrochloride (PubChem CID 3044166) has the molecular formula C20H23ClN2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 9,9-dimethyl-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)acridine;hydrochloride.

Molecular Properties

Compound Name9,9-dimethyl-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)acridine;hydrochloride
PubChem CID3044166
Molecular FormulaC20H23ClN2
Molecular Weight326.87 g/mol
Exact Mass326.15
IUPAC Name9,9-dimethyl-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)acridine;hydrochloride
SMILESCC1CCC(N2c3ccccc3C(C)(C)c3ccccc32)=N1.Cl
InChIInChI=1S/C20H22N2.ClH/c1-14-12-13-19(21-14)22-17-10-6-4-8-15(17)20(2,3)16-9-5-7-11-18(16)22;/h4-11,14H,12-13H2,1-3H3;1H
InChIKeyGKOMHLQYCJIFLB-UHFFFAOYSA-N
XLogP5.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.87
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)acridine;hydrochloride?
The IUPAC name of 9,9-dimethyl-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)acridine;hydrochloride (CID 3044166) is 9,9-dimethyl-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)acridine;hydrochloride.
What is the SMILES notation for 9,9-dimethyl-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)acridine;hydrochloride?
The canonical SMILES for 9,9-dimethyl-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)acridine;hydrochloride is CC1CCC(N2c3ccccc3C(C)(C)c3ccccc32)=N1.Cl.
What is the InChIKey of 9,9-dimethyl-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)acridine;hydrochloride?
The InChIKey is GKOMHLQYCJIFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2.ClH/c1-14-12-13-19(21-14)22-17-10-6-4-8-15(17)20(2,3)16-9-5-7-11-18(16)22;/h4-11,14H,12-13H2,1-3H3;1H.
What are the key properties of 9,9-dimethyl-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)acridine;hydrochloride?
9,9-dimethyl-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)acridine;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 5.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)acridine;hydrochloride is sourced from PubChem (CID 3044166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).