N-ethyl-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-amine;formic acid

C23H33N3O5 — CID 135155495

IUPACN-ethyl-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-amine;formic acid
SMILESCCNc1nc2cc(OCCCN3CCCC3)c(OC)cc2c2c1COCC2.O=CO
InChIInChI=1S/C22H31N3O3.CH2O2/c1-3-23-22-18-15-27-12-7-16(18)17-13-20(26-2)21(14-19(17)24-22)28-11-6-10-25-8-4-5-9-25;2-1-3/h13-14H,3-12,15H2,1-2H3,(H,23,24);1H,(H,2,3)
InChIKeyRURFVKGAMHZWFJ-UHFFFAOYSA-N
MW431.53 g/mol
LogP3.31
Rot. Bonds8

About N-ethyl-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-amine;formic acid

N-ethyl-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-amine;formic acid (PubChem CID 135155495) has the molecular formula C23H33N3O5 and a molecular weight of 431.53 g/mol. Its IUPAC name is N-ethyl-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-amine;formic acid.

Molecular Properties

Compound NameN-ethyl-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-amine;formic acid
PubChem CID135155495
Molecular FormulaC23H33N3O5
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC NameN-ethyl-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-amine;formic acid
SMILESCCNc1nc2cc(OCCCN3CCCC3)c(OC)cc2c2c1COCC2.O=CO
InChIInChI=1S/C22H31N3O3.CH2O2/c1-3-23-22-18-15-27-12-7-16(18)17-13-20(26-2)21(14-19(17)24-22)28-11-6-10-25-8-4-5-9-25;2-1-3/h13-14H,3-12,15H2,1-2H3,(H,23,24);1H,(H,2,3)
InChIKeyRURFVKGAMHZWFJ-UHFFFAOYSA-N
XLogP3.31
TPSA93.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

formic acid;8-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine
CID 135155727
N-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135185248
5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline
CID 135155249
formic acid;8-methoxy-N-[(3S)-oxolan-3-yl]-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135155651
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-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)spiro[1,3-dihydrocyclopenta[c]quinoline-2,1'-cyclobutane]-4-amine
CID 135185256
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
8-methoxy-N-(2-methylpropyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135185023
N-(cyclopropylmethyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;formic acid
CID 130345854
N-ethyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 130345777
8-methoxy-N-(1-methylcyclopropyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135185060

Frequently Asked Questions

What is the IUPAC name of N-ethyl-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-amine;formic acid?
The IUPAC name of N-ethyl-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-amine;formic acid (CID 135155495) is N-ethyl-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-amine;formic acid.
What is the SMILES notation for N-ethyl-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-amine;formic acid?
The canonical SMILES for N-ethyl-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-amine;formic acid is CCNc1nc2cc(OCCCN3CCCC3)c(OC)cc2c2c1COCC2.O=CO.
What is the InChIKey of N-ethyl-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-amine;formic acid?
The InChIKey is RURFVKGAMHZWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3.CH2O2/c1-3-23-22-18-15-27-12-7-16(18)17-13-20(26-2)21(14-19(17)24-22)28-11-6-10-25-8-4-5-9-25;2-1-3/h13-14H,3-12,15H2,1-2H3,(H,23,24);1H,(H,2,3).
What are the key properties of N-ethyl-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-amine;formic acid?
N-ethyl-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-amine;formic acid has a molecular weight of 431.53 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-amine;formic acid is sourced from PubChem (CID 135155495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).