6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;3-methylpiperidine

C20H29N3O2 — CID 142532119

IUPAC6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;3-methylpiperidine
SMILESCC1CCCNC1.COc1cc2nc3c(c(N)c2cc1OC)CCC3
InChIInChI=1S/C14H16N2O2.C6H13N/c1-17-12-6-9-11(7-13(12)18-2)16-10-5-3-4-8(10)14(9)15;1-6-3-2-4-7-5-6/h6-7H,3-5H2,1-2H3,(H2,15,16);6-7H,2-5H2,1H3
InChIKeyXFHUXGOGGHFGNO-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.33
Rot. Bonds2

About 6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;3-methylpiperidine

6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;3-methylpiperidine (PubChem CID 142532119) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;3-methylpiperidine.

Molecular Properties

Compound Name6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;3-methylpiperidine
PubChem CID142532119
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;3-methylpiperidine
SMILESCC1CCCNC1.COc1cc2nc3c(c(N)c2cc1OC)CCC3
InChIInChI=1S/C14H16N2O2.C6H13N/c1-17-12-6-9-11(7-13(12)18-2)16-10-5-3-4-8(10)14(9)15;1-6-3-2-4-7-5-6/h6-7H,3-5H2,1-2H3,(H2,15,16);6-7H,2-5H2,1H3
InChIKeyXFHUXGOGGHFGNO-UHFFFAOYSA-N
XLogP3.33
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;3-methylpiperidine?
The IUPAC name of 6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;3-methylpiperidine (CID 142532119) is 6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;3-methylpiperidine.
What is the SMILES notation for 6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;3-methylpiperidine?
The canonical SMILES for 6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;3-methylpiperidine is CC1CCCNC1.COc1cc2nc3c(c(N)c2cc1OC)CCC3.
What is the InChIKey of 6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;3-methylpiperidine?
The InChIKey is XFHUXGOGGHFGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2.C6H13N/c1-17-12-6-9-11(7-13(12)18-2)16-10-5-3-4-8(10)14(9)15;1-6-3-2-4-7-5-6/h6-7H,3-5H2,1-2H3,(H2,15,16);6-7H,2-5H2,1H3.
What are the key properties of 6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;3-methylpiperidine?
6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;3-methylpiperidine has a molecular weight of 343.47 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;3-methylpiperidine is sourced from PubChem (CID 142532119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).