[9-(ethylamino)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate

C23H31N3O4 — CID 137479061

IUPAC[9-(ethylamino)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate
SMILESCCNc1c2c(nc3cc(OCCCN4CCCC4)c(OC)cc13)CCC2OC=O
InChIInChI=1S/C23H31N3O4/c1-3-24-23-16-13-20(28-2)21(29-12-6-11-26-9-4-5-10-26)14-18(16)25-17-7-8-19(22(17)23)30-15-27/h13-15,19H,3-12H2,1-2H3,(H,24,25)
InChIKeyYBCCBYZMGAXGKQ-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.70
Rot. Bonds10

About [9-(ethylamino)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate

[9-(ethylamino)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate (PubChem CID 137479061) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is [9-(ethylamino)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate.

Molecular Properties

Compound Name[9-(ethylamino)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate
PubChem CID137479061
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name[9-(ethylamino)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate
SMILESCCNc1c2c(nc3cc(OCCCN4CCCC4)c(OC)cc13)CCC2OC=O
InChIInChI=1S/C23H31N3O4/c1-3-24-23-16-13-20(28-2)21(29-12-6-11-26-9-4-5-10-26)14-18(16)25-17-7-8-19(22(17)23)30-15-27/h13-15,19H,3-12H2,1-2H3,(H,24,25)
InChIKeyYBCCBYZMGAXGKQ-UHFFFAOYSA-N
XLogP3.70
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [9-(ethylamino)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[7-methoxy-9-(pyridin-3-ylmethylamino)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate
CID 137478985
N-ethyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 130345777
[8-methoxy-7-(3-piperidin-1-ylpropoxy)-4-(propan-2-ylamino)-2,3-dihydro-1H-cyclopenta[c]quinolin-1-yl] formate
CID 135155523
[8-methoxy-4-[[(3R)-oxolan-3-yl]amino]-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-1-yl] formate
CID 135155596
N-(cyclopropylmethyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;formic acid
CID 130345854
[7-methoxy-9-(methylamino)-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-1-yl] 2,2,2-trifluoroacetate
CID 137479092
N-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135185248
N-ethyl-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-amine;formic acid
CID 135155495
N-cyclobutyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine
CID 175854650
2-methoxy-N-methyl-3-(3-pyrrolidin-1-ylpropoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 155284199
7-methoxy-N-(2-methylpropyl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 130345712
7-methoxy-N-(2-methylbutyl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 130345727

Frequently Asked Questions

What is the IUPAC name of [9-(ethylamino)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate?
The IUPAC name of [9-(ethylamino)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate (CID 137479061) is [9-(ethylamino)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate.
What is the SMILES notation for [9-(ethylamino)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate?
The canonical SMILES for [9-(ethylamino)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate is CCNc1c2c(nc3cc(OCCCN4CCCC4)c(OC)cc13)CCC2OC=O.
What is the InChIKey of [9-(ethylamino)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate?
The InChIKey is YBCCBYZMGAXGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-3-24-23-16-13-20(28-2)21(29-12-6-11-26-9-4-5-10-26)14-18(16)25-17-7-8-19(22(17)23)30-15-27/h13-15,19H,3-12H2,1-2H3,(H,24,25).
What are the key properties of [9-(ethylamino)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate?
[9-(ethylamino)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate has a molecular weight of 413.52 g/mol, XLogP of 3.70, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(ethylamino)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-1-yl] formate is sourced from PubChem (CID 137479061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).