N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

C20H20N2O2 — CID 15999416

IUPACN-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCOc1ccc(OC)c(Nc2c3c(nc4ccccc24)CCC3)c1
InChIInChI=1S/C20H20N2O2/c1-23-13-10-11-19(24-2)18(12-13)22-20-14-6-3-4-8-16(14)21-17-9-5-7-15(17)20/h3-4,6,8,10-12H,5,7,9H2,1-2H3,(H,21,22)
InChIKeyXNLOWBUSWAIMQM-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.48
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (PubChem CID 15999416) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
PubChem CID15999416
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCOc1ccc(OC)c(Nc2c3c(nc4ccccc24)CCC3)c1
InChIInChI=1S/C20H20N2O2/c1-23-13-10-11-19(24-2)18(12-13)22-20-14-6-3-4-8-16(14)21-17-9-5-7-15(17)20/h3-4,6,8,10-12H,5,7,9H2,1-2H3,(H,21,22)
InChIKeyXNLOWBUSWAIMQM-UHFFFAOYSA-N
XLogP4.48
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Amsacrine
CID 2179
Amsacrine Hydrochloride
CID 148673
6-Methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 3075610
9-Acridinamine, 1,2,3,4-tetrahydro-N-heptyl-6-methoxy-
CID 3075611
(2,5-Dimethoxy-phenyl)-(4-methyl-quinolin-2-yl)-amine
CID 806171
5,8-Dimethoxy-2,4-dimethylquinoline
CID 301207
Methanesulfonanilide, 3'-methoxy-4'-((4-methyl-9-acridinyl)amino)-
CID 148550
Methanesulfonanilide, 3'-methoxy-4'-((3-methyl-9-acridinyl)amino)-
CID 148642
Methanesulfonanilide, 4'-((3-amino-9-acridinyl)amino)-3'-methoxy-
CID 149559
Methanesulfonanilide, 4'-((3-iodo-9-acridinyl)amino)-3'-methoxy-
CID 149562
Methanesulfonanilide, 3'-methoxy-4'-((3-methoxy-9-acridinyl)amino)-
CID 149775
o-Amsacrine
CID 107747

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (CID 15999416) is N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is COc1ccc(OC)c(Nc2c3c(nc4ccccc24)CCC3)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The InChIKey is XNLOWBUSWAIMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-23-13-10-11-19(24-2)18(12-13)22-20-14-6-3-4-8-16(14)21-17-9-5-7-15(17)20/h3-4,6,8,10-12H,5,7,9H2,1-2H3,(H,21,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine has a molecular weight of 320.39 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is sourced from PubChem (CID 15999416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).