8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine

C22H31N3O3 — CID 135155664

IUPAC8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine
SMILESCOc1cc2c3c(c(NC(C)C)nc2cc1OCCCN1CCCC1)COC3
InChIInChI=1S/C22H31N3O3/c1-15(2)23-22-18-14-27-13-17(18)16-11-20(26-3)21(12-19(16)24-22)28-10-6-9-25-7-4-5-8-25/h11-12,15H,4-10,13-14H2,1-3H3,(H,23,24)
InChIKeyORIGEDGHZUMICB-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.96
Rot. Bonds8

About 8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine

8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine (PubChem CID 135155664) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine.

Molecular Properties

Compound Name8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine
PubChem CID135155664
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine
SMILESCOc1cc2c3c(c(NC(C)C)nc2cc1OCCCN1CCCC1)COC3
InChIInChI=1S/C22H31N3O3/c1-15(2)23-22-18-14-27-13-17(18)16-11-20(26-3)21(12-19(16)24-22)28-10-6-9-25-7-4-5-8-25/h11-12,15H,4-10,13-14H2,1-3H3,(H,23,24)
InChIKeyORIGEDGHZUMICB-UHFFFAOYSA-N
XLogP3.96
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine?
The IUPAC name of 8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine (CID 135155664) is 8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine.
What is the SMILES notation for 8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine?
The canonical SMILES for 8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine is COc1cc2c3c(c(NC(C)C)nc2cc1OCCCN1CCCC1)COC3.
What is the InChIKey of 8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine?
The InChIKey is ORIGEDGHZUMICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-15(2)23-22-18-14-27-13-17(18)16-11-20(26-3)21(12-19(16)24-22)28-10-6-9-25-7-4-5-8-25/h11-12,15H,4-10,13-14H2,1-3H3,(H,23,24).
What are the key properties of 8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine?
8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine has a molecular weight of 385.51 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine is sourced from PubChem (CID 135155664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).