6-methoxy-N-(1-methylpiperidin-4-yl)-2-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine

C28H37N5O2 — CID 118613637

IUPAC6-methoxy-N-(1-methylpiperidin-4-yl)-2-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
SMILESCOc1cc2c(NC3CCN(C)CC3)cc(-c3cccnc3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C28H37N5O2/c1-32-14-8-22(9-15-32)30-25-18-24(21-7-5-10-29-20-21)31-26-19-28(27(34-2)17-23(25)26)35-16-6-13-33-11-3-4-12-33/h5,7,10,17-20,22H,3-4,6,8-9,11-16H2,1-2H3,(H,30,31)
InChIKeyXOIJFJVDGFIARD-UHFFFAOYSA-N
MW475.64 g/mol
LogP4.68
Rot. Bonds9

About 6-methoxy-N-(1-methylpiperidin-4-yl)-2-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine

6-methoxy-N-(1-methylpiperidin-4-yl)-2-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine (PubChem CID 118613637) has the molecular formula C28H37N5O2 and a molecular weight of 475.64 g/mol. Its IUPAC name is 6-methoxy-N-(1-methylpiperidin-4-yl)-2-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(1-methylpiperidin-4-yl)-2-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
PubChem CID118613637
Molecular FormulaC28H37N5O2
Molecular Weight475.64 g/mol
Exact Mass475.29
IUPAC Name6-methoxy-N-(1-methylpiperidin-4-yl)-2-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
SMILESCOc1cc2c(NC3CCN(C)CC3)cc(-c3cccnc3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C28H37N5O2/c1-32-14-8-22(9-15-32)30-25-18-24(21-7-5-10-29-20-21)31-26-19-28(27(34-2)17-23(25)26)35-16-6-13-33-11-3-4-12-33/h5,7,10,17-20,22H,3-4,6,8-9,11-16H2,1-2H3,(H,30,31)
InChIKeyXOIJFJVDGFIARD-UHFFFAOYSA-N
XLogP4.68
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.64
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 6-methoxy-N-(1-methylpiperidin-4-yl)-2-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The IUPAC name of 6-methoxy-N-(1-methylpiperidin-4-yl)-2-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine (CID 118613637) is 6-methoxy-N-(1-methylpiperidin-4-yl)-2-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine.
What is the SMILES notation for 6-methoxy-N-(1-methylpiperidin-4-yl)-2-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The canonical SMILES for 6-methoxy-N-(1-methylpiperidin-4-yl)-2-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine is COc1cc2c(NC3CCN(C)CC3)cc(-c3cccnc3)nc2cc1OCCCN1CCCC1.
What is the InChIKey of 6-methoxy-N-(1-methylpiperidin-4-yl)-2-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The InChIKey is XOIJFJVDGFIARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O2/c1-32-14-8-22(9-15-32)30-25-18-24(21-7-5-10-29-20-21)31-26-19-28(27(34-2)17-23(25)26)35-16-6-13-33-11-3-4-12-33/h5,7,10,17-20,22H,3-4,6,8-9,11-16H2,1-2H3,(H,30,31).
What are the key properties of 6-methoxy-N-(1-methylpiperidin-4-yl)-2-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
6-methoxy-N-(1-methylpiperidin-4-yl)-2-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine has a molecular weight of 475.64 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(1-methylpiperidin-4-yl)-2-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine is sourced from PubChem (CID 118613637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).