N-ethyl-3,9-dimethyl-8-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydro-1H-pyrano[4,3-c]quinolin-5-amine

C23H33N3O2 — CID 135194673

IUPACN-ethyl-3,9-dimethyl-8-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydro-1H-pyrano[4,3-c]quinolin-5-amine
SMILESCCNc1nc2cc(OCCCN3CCCC3)c(C)cc2c2c1CC(C)OC2
InChIInChI=1S/C23H33N3O2/c1-4-24-23-19-13-17(3)28-15-20(19)18-12-16(2)22(14-21(18)25-23)27-11-7-10-26-8-5-6-9-26/h12,14,17H,4-11,13,15H2,1-3H3,(H,24,25)
InChIKeySRNDPTWLFVFMAU-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.30
Rot. Bonds7

About N-ethyl-3,9-dimethyl-8-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydro-1H-pyrano[4,3-c]quinolin-5-amine

N-ethyl-3,9-dimethyl-8-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydro-1H-pyrano[4,3-c]quinolin-5-amine (PubChem CID 135194673) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-ethyl-3,9-dimethyl-8-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydro-1H-pyrano[4,3-c]quinolin-5-amine.

Molecular Properties

Compound NameN-ethyl-3,9-dimethyl-8-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydro-1H-pyrano[4,3-c]quinolin-5-amine
PubChem CID135194673
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN-ethyl-3,9-dimethyl-8-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydro-1H-pyrano[4,3-c]quinolin-5-amine
SMILESCCNc1nc2cc(OCCCN3CCCC3)c(C)cc2c2c1CC(C)OC2
InChIInChI=1S/C23H33N3O2/c1-4-24-23-19-13-17(3)28-15-20(19)18-12-16(2)22(14-21(18)25-23)27-11-7-10-26-8-5-6-9-26/h12,14,17H,4-11,13,15H2,1-3H3,(H,24,25)
InChIKeySRNDPTWLFVFMAU-UHFFFAOYSA-N
XLogP4.30
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.30
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-9-methoxy-3-methyl-8-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydro-1H-pyrano[4,3-c]quinolin-5-amine
CID 135185090
2-methyl-3-(3-pyrrolidin-1-ylpropoxy)-N-(2,2,2-trifluoroethyl)-7,8,9,10-tetrahydrophenanthridin-6-amine
CID 135194579
N-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135185248
8-methyl-4-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinoline
CID 135194523
N-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)spiro[1,3-dihydrocyclopenta[c]quinoline-2,1'-cyclobutane]-4-amine
CID 135185256
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-deuteriopropan-2-yl)-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 147534886
N-[(1R)-1-cyclobutylethyl]-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135194635
8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine
CID 135155664
8-methoxy-N-(2-methylpropyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135185023
formic acid;8-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine
CID 135155727
N-ethyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 130345777

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,9-dimethyl-8-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydro-1H-pyrano[4,3-c]quinolin-5-amine?
The IUPAC name of N-ethyl-3,9-dimethyl-8-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydro-1H-pyrano[4,3-c]quinolin-5-amine (CID 135194673) is N-ethyl-3,9-dimethyl-8-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydro-1H-pyrano[4,3-c]quinolin-5-amine.
What is the SMILES notation for N-ethyl-3,9-dimethyl-8-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydro-1H-pyrano[4,3-c]quinolin-5-amine?
The canonical SMILES for N-ethyl-3,9-dimethyl-8-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydro-1H-pyrano[4,3-c]quinolin-5-amine is CCNc1nc2cc(OCCCN3CCCC3)c(C)cc2c2c1CC(C)OC2.
What is the InChIKey of N-ethyl-3,9-dimethyl-8-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydro-1H-pyrano[4,3-c]quinolin-5-amine?
The InChIKey is SRNDPTWLFVFMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-4-24-23-19-13-17(3)28-15-20(19)18-12-16(2)22(14-21(18)25-23)27-11-7-10-26-8-5-6-9-26/h12,14,17H,4-11,13,15H2,1-3H3,(H,24,25).
What are the key properties of N-ethyl-3,9-dimethyl-8-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydro-1H-pyrano[4,3-c]quinolin-5-amine?
N-ethyl-3,9-dimethyl-8-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydro-1H-pyrano[4,3-c]quinolin-5-amine has a molecular weight of 383.54 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,9-dimethyl-8-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydro-1H-pyrano[4,3-c]quinolin-5-amine is sourced from PubChem (CID 135194673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).