methyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate;hydrochloride

C20H19ClN2O2 — CID 2790062

IUPACmethyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate;hydrochloride
SMILESCOC(=O)c1cccc(Nc2c3c(nc4ccccc24)CCC3)c1.Cl
InChIInChI=1S/C20H18N2O2.ClH/c1-24-20(23)13-6-4-7-14(12-13)21-19-15-8-2-3-10-17(15)22-18-11-5-9-16(18)19;/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,21,22);1H
InChIKeyFZEYVXGWNJTWBW-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.68
Rot. Bonds3

About methyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate;hydrochloride

methyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate;hydrochloride (PubChem CID 2790062) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is methyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate;hydrochloride
PubChem CID2790062
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Namemethyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate;hydrochloride
SMILESCOC(=O)c1cccc(Nc2c3c(nc4ccccc24)CCC3)c1.Cl
InChIInChI=1S/C20H18N2O2.ClH/c1-24-20(23)13-6-4-7-14(12-13)21-19-15-8-2-3-10-17(15)22-18-11-5-9-16(18)19;/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,21,22);1H
InChIKeyFZEYVXGWNJTWBW-UHFFFAOYSA-N
XLogP4.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate;hydrochloride?
The IUPAC name of methyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate;hydrochloride (CID 2790062) is methyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate;hydrochloride.
What is the SMILES notation for methyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate;hydrochloride?
The canonical SMILES for methyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate;hydrochloride is COC(=O)c1cccc(Nc2c3c(nc4ccccc24)CCC3)c1.Cl.
What is the InChIKey of methyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate;hydrochloride?
The InChIKey is FZEYVXGWNJTWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2.ClH/c1-24-20(23)13-6-4-7-14(12-13)21-19-15-8-2-3-10-17(15)22-18-11-5-9-16(18)19;/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,21,22);1H.
What are the key properties of methyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate;hydrochloride?
methyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate;hydrochloride has a molecular weight of 354.84 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)benzoate;hydrochloride is sourced from PubChem (CID 2790062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).