N-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)spiro[1,3-dihydrocyclopenta[c]quinoline-2,1'-cyclobutane]-4-amine

C25H35N3O2 — CID 135185256

IUPACN-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)spiro[1,3-dihydrocyclopenta[c]quinoline-2,1'-cyclobutane]-4-amine
SMILESCCNc1nc2cc(OCCCN3CCCC3)c(OC)cc2c2c1CC1(CCC1)C2
InChIInChI=1S/C25H35N3O2/c1-3-26-24-20-17-25(8-6-9-25)16-19(20)18-14-22(29-2)23(15-21(18)27-24)30-13-7-12-28-10-4-5-11-28/h14-15H,3-13,16-17H2,1-2H3,(H,26,27)
InChIKeyKVFGQLFUZYAJJX-UHFFFAOYSA-N
MW409.57 g/mol
LogP4.81
Rot. Bonds8

About N-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)spiro[1,3-dihydrocyclopenta[c]quinoline-2,1'-cyclobutane]-4-amine

N-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)spiro[1,3-dihydrocyclopenta[c]quinoline-2,1'-cyclobutane]-4-amine (PubChem CID 135185256) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is N-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)spiro[1,3-dihydrocyclopenta[c]quinoline-2,1'-cyclobutane]-4-amine.

Molecular Properties

Compound NameN-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)spiro[1,3-dihydrocyclopenta[c]quinoline-2,1'-cyclobutane]-4-amine
PubChem CID135185256
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC NameN-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)spiro[1,3-dihydrocyclopenta[c]quinoline-2,1'-cyclobutane]-4-amine
SMILESCCNc1nc2cc(OCCCN3CCCC3)c(OC)cc2c2c1CC1(CCC1)C2
InChIInChI=1S/C25H35N3O2/c1-3-26-24-20-17-25(8-6-9-25)16-19(20)18-14-22(29-2)23(15-21(18)27-24)30-13-7-12-28-10-4-5-11-28/h14-15H,3-13,16-17H2,1-2H3,(H,26,27)
InChIKeyKVFGQLFUZYAJJX-UHFFFAOYSA-N
XLogP4.81
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135185248
N-ethyl-9-methoxy-3-methyl-8-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydro-1H-pyrano[4,3-c]quinolin-5-amine
CID 135185090
N-(cyclobutylmethyl)-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrocyclopenta[c]quinolin-4-amine
CID 135185174
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-[(2,4-dimethoxyphenyl)methyl]-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrocyclopenta[c]quinolin-4-amine
CID 135155421
8-methoxy-N-(1-methylcyclopropyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135185060
8-methoxy-N-(2-methylpropyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135185023
N-ethyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 130345777
8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine
CID 135155664
N-[8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-yl]acetamide
CID 135185225
formic acid;8-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine
CID 135155727
N-ethyl-3,9-dimethyl-8-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydro-1H-pyrano[4,3-c]quinolin-5-amine
CID 135194673

Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)spiro[1,3-dihydrocyclopenta[c]quinoline-2,1'-cyclobutane]-4-amine?
The IUPAC name of N-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)spiro[1,3-dihydrocyclopenta[c]quinoline-2,1'-cyclobutane]-4-amine (CID 135185256) is N-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)spiro[1,3-dihydrocyclopenta[c]quinoline-2,1'-cyclobutane]-4-amine.
What is the SMILES notation for N-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)spiro[1,3-dihydrocyclopenta[c]quinoline-2,1'-cyclobutane]-4-amine?
The canonical SMILES for N-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)spiro[1,3-dihydrocyclopenta[c]quinoline-2,1'-cyclobutane]-4-amine is CCNc1nc2cc(OCCCN3CCCC3)c(OC)cc2c2c1CC1(CCC1)C2.
What is the InChIKey of N-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)spiro[1,3-dihydrocyclopenta[c]quinoline-2,1'-cyclobutane]-4-amine?
The InChIKey is KVFGQLFUZYAJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-3-26-24-20-17-25(8-6-9-25)16-19(20)18-14-22(29-2)23(15-21(18)27-24)30-13-7-12-28-10-4-5-11-28/h14-15H,3-13,16-17H2,1-2H3,(H,26,27).
What are the key properties of N-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)spiro[1,3-dihydrocyclopenta[c]quinoline-2,1'-cyclobutane]-4-amine?
N-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)spiro[1,3-dihydrocyclopenta[c]quinoline-2,1'-cyclobutane]-4-amine has a molecular weight of 409.57 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)spiro[1,3-dihydrocyclopenta[c]quinoline-2,1'-cyclobutane]-4-amine is sourced from PubChem (CID 135185256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).