3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol;hydrochloride

C19H19ClN2O — CID 2909821

IUPAC3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol;hydrochloride
SMILESCc1ccc2nc3c(c(Nc4cccc(O)c4)c2c1)CCC3.Cl
InChIInChI=1S/C19H18N2O.ClH/c1-12-8-9-18-16(10-12)19(15-6-3-7-17(15)21-18)20-13-4-2-5-14(22)11-13;/h2,4-5,8-11,22H,3,6-7H2,1H3,(H,20,21);1H
InChIKeyNXRQJVUNSZWNKQ-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.90
Rot. Bonds2

About 3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol;hydrochloride

3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol;hydrochloride (PubChem CID 2909821) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol;hydrochloride.

Molecular Properties

Compound Name3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol;hydrochloride
PubChem CID2909821
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol;hydrochloride
SMILESCc1ccc2nc3c(c(Nc4cccc(O)c4)c2c1)CCC3.Cl
InChIInChI=1S/C19H18N2O.ClH/c1-12-8-9-18-16(10-12)19(15-6-3-7-17(15)21-18)20-13-4-2-5-14(22)11-13;/h2,4-5,8-11,22H,3,6-7H2,1H3,(H,20,21);1H
InChIKeyNXRQJVUNSZWNKQ-UHFFFAOYSA-N
XLogP4.90
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol;hydrochloride?
The IUPAC name of 3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol;hydrochloride (CID 2909821) is 3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol;hydrochloride.
What is the SMILES notation for 3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol;hydrochloride?
The canonical SMILES for 3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol;hydrochloride is Cc1ccc2nc3c(c(Nc4cccc(O)c4)c2c1)CCC3.Cl.
What is the InChIKey of 3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol;hydrochloride?
The InChIKey is NXRQJVUNSZWNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O.ClH/c1-12-8-9-18-16(10-12)19(15-6-3-7-17(15)21-18)20-13-4-2-5-14(22)11-13;/h2,4-5,8-11,22H,3,6-7H2,1H3,(H,20,21);1H.
What are the key properties of 3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol;hydrochloride?
3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol;hydrochloride has a molecular weight of 326.83 g/mol, XLogP of 4.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol;hydrochloride is sourced from PubChem (CID 2909821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).