formic acid;8-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine

C21H29N3O5 — CID 135155727

IUPACformic acid;8-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine
SMILESCNc1nc2cc(OCCCN3CCCC3)c(OC)cc2c2c1COC2.O=CO
InChIInChI=1S/C20H27N3O3.CH2O2/c1-21-20-16-13-25-12-15(16)14-10-18(24-2)19(11-17(14)22-20)26-9-5-8-23-6-3-4-7-23;2-1-3/h10-11H,3-9,12-13H2,1-2H3,(H,21,22);1H,(H,2,3)
InChIKeyPLZJKTPZMLBOGM-UHFFFAOYSA-N
MW403.48 g/mol
LogP2.88
Rot. Bonds7

About formic acid;8-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine

formic acid;8-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine (PubChem CID 135155727) has the molecular formula C21H29N3O5 and a molecular weight of 403.48 g/mol. Its IUPAC name is formic acid;8-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine.

Molecular Properties

Compound Nameformic acid;8-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine
PubChem CID135155727
Molecular FormulaC21H29N3O5
Molecular Weight403.48 g/mol
Exact Mass403.21
IUPAC Nameformic acid;8-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine
SMILESCNc1nc2cc(OCCCN3CCCC3)c(OC)cc2c2c1COC2.O=CO
InChIInChI=1S/C20H27N3O3.CH2O2/c1-21-20-16-13-25-12-15(16)14-10-18(24-2)19(11-17(14)22-20)26-9-5-8-23-6-3-4-7-23;2-1-3/h10-11H,3-9,12-13H2,1-2H3,(H,21,22);1H,(H,2,3)
InChIKeyPLZJKTPZMLBOGM-UHFFFAOYSA-N
XLogP2.88
TPSA93.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.88
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

N-ethyl-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-amine;formic acid
CID 135155495
8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine
CID 135155664
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-[8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-yl]acetamide
CID 135185225
5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline
CID 135155249
N-(cyclopropylmethyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;formic acid
CID 130345854
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
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
7-[3-(3,3-dimethylpyrrolidin-1-yl)propoxy]-8-methoxy-N-propan-2-yl-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine;formic acid
CID 135155617
[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

Frequently Asked Questions

What is the IUPAC name of formic acid;8-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine?
The IUPAC name of formic acid;8-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine (CID 135155727) is formic acid;8-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine.
What is the SMILES notation for formic acid;8-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine?
The canonical SMILES for formic acid;8-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine is CNc1nc2cc(OCCCN3CCCC3)c(OC)cc2c2c1COC2.O=CO.
What is the InChIKey of formic acid;8-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine?
The InChIKey is PLZJKTPZMLBOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3.CH2O2/c1-21-20-16-13-25-12-15(16)14-10-18(24-2)19(11-17(14)22-20)26-9-5-8-23-6-3-4-7-23;2-1-3/h10-11H,3-9,12-13H2,1-2H3,(H,21,22);1H,(H,2,3).
What are the key properties of formic acid;8-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine?
formic acid;8-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine has a molecular weight of 403.48 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;8-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine is sourced from PubChem (CID 135155727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).