6-methoxy-1-methyl-4-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2H-quinoline

C23H34N2O3 — CID 157405484

IUPAC6-methoxy-1-methyl-4-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2H-quinoline
SMILESCOc1cc2c(cc1OCCCN1CCCC1)N(C)CC=C2C1CCOCC1
InChIInChI=1S/C23H34N2O3/c1-24-12-6-19(18-7-14-27-15-8-18)20-16-22(26-2)23(17-21(20)24)28-13-5-11-25-9-3-4-10-25/h6,16-18H,3-5,7-15H2,1-2H3
InChIKeyBNQZQHARNIVNRQ-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.82
Rot. Bonds7

About 6-methoxy-1-methyl-4-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2H-quinoline

6-methoxy-1-methyl-4-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2H-quinoline (PubChem CID 157405484) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is 6-methoxy-1-methyl-4-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2H-quinoline.

Molecular Properties

Compound Name6-methoxy-1-methyl-4-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2H-quinoline
PubChem CID157405484
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Name6-methoxy-1-methyl-4-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2H-quinoline
SMILESCOc1cc2c(cc1OCCCN1CCCC1)N(C)CC=C2C1CCOCC1
InChIInChI=1S/C23H34N2O3/c1-24-12-6-19(18-7-14-27-15-8-18)20-16-22(26-2)23(17-21(20)24)28-13-5-11-25-9-3-4-10-25/h6,16-18H,3-5,7-15H2,1-2H3
InChIKeyBNQZQHARNIVNRQ-UHFFFAOYSA-N
XLogP3.82
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-4-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2H-quinoline?
The IUPAC name of 6-methoxy-1-methyl-4-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2H-quinoline (CID 157405484) is 6-methoxy-1-methyl-4-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2H-quinoline.
What is the SMILES notation for 6-methoxy-1-methyl-4-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2H-quinoline?
The canonical SMILES for 6-methoxy-1-methyl-4-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2H-quinoline is COc1cc2c(cc1OCCCN1CCCC1)N(C)CC=C2C1CCOCC1.
What is the InChIKey of 6-methoxy-1-methyl-4-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2H-quinoline?
The InChIKey is BNQZQHARNIVNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-24-12-6-19(18-7-14-27-15-8-18)20-16-22(26-2)23(17-21(20)24)28-13-5-11-25-9-3-4-10-25/h6,16-18H,3-5,7-15H2,1-2H3.
What are the key properties of 6-methoxy-1-methyl-4-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2H-quinoline?
6-methoxy-1-methyl-4-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2H-quinoline has a molecular weight of 386.54 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-4-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2H-quinoline is sourced from PubChem (CID 157405484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).