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

C19H18N2O — CID 714705

IUPAC3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol
SMILESCc1ccc2nc3c(c(Nc4cccc(O)c4)c2c1)CCC3
InChIInChI=1S/C19H18N2O/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)
InChIKeySDWPMGMCUCHVSO-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.48
Rot. Bonds2

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

3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol (PubChem CID 714705) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol.

Molecular Properties

Compound Name3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol
PubChem CID714705
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol
SMILESCc1ccc2nc3c(c(Nc4cccc(O)c4)c2c1)CCC3
InChIInChI=1S/C19H18N2O/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)
InChIKeySDWPMGMCUCHVSO-UHFFFAOYSA-N
XLogP4.48
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.48
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?
The IUPAC name of 3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol (CID 714705) is 3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol.
What is the SMILES notation for 3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol?
The canonical SMILES for 3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol is Cc1ccc2nc3c(c(Nc4cccc(O)c4)c2c1)CCC3.
What is the InChIKey of 3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol?
The InChIKey is SDWPMGMCUCHVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/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).
What are the key properties of 3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol?
3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol has a molecular weight of 290.37 g/mol, XLogP of 4.48, 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 is sourced from PubChem (CID 714705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).