6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-amine

C28H38N4O3 — CID 129072681

IUPAC6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-amine
SMILESCOc1cc2c(NC3CCN(C)CC3)cc(-c3ccc(C)o3)nc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C28H38N4O3/c1-19-5-6-26(35-19)25-16-23(29-21-9-13-32(3)14-10-21)22-15-27(33-4)28(17-24(22)30-25)34-18-20-7-11-31(2)12-8-20/h5-6,15-17,20-21H,7-14,18H2,1-4H3,(H,29,30)
InChIKeyCVJDYZNCQRBDOX-UHFFFAOYSA-N
MW478.64 g/mol
LogP5.04
Rot. Bonds7

About 6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-amine

6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-amine (PubChem CID 129072681) has the molecular formula C28H38N4O3 and a molecular weight of 478.64 g/mol. Its IUPAC name is 6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-amine
PubChem CID129072681
Molecular FormulaC28H38N4O3
Molecular Weight478.64 g/mol
Exact Mass478.29
IUPAC Name6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-amine
SMILESCOc1cc2c(NC3CCN(C)CC3)cc(-c3ccc(C)o3)nc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C28H38N4O3/c1-19-5-6-26(35-19)25-16-23(29-21-9-13-32(3)14-10-21)22-15-27(33-4)28(17-24(22)30-25)34-18-20-7-11-31(2)12-8-20/h5-6,15-17,20-21H,7-14,18H2,1-4H3,(H,29,30)
InChIKeyCVJDYZNCQRBDOX-UHFFFAOYSA-N
XLogP5.04
TPSA63.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-amine?
The IUPAC name of 6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-amine (CID 129072681) is 6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-amine.
What is the SMILES notation for 6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-amine?
The canonical SMILES for 6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-amine is COc1cc2c(NC3CCN(C)CC3)cc(-c3ccc(C)o3)nc2cc1OCC1CCN(C)CC1.
What is the InChIKey of 6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-amine?
The InChIKey is CVJDYZNCQRBDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O3/c1-19-5-6-26(35-19)25-16-23(29-21-9-13-32(3)14-10-21)22-15-27(33-4)28(17-24(22)30-25)34-18-20-7-11-31(2)12-8-20/h5-6,15-17,20-21H,7-14,18H2,1-4H3,(H,29,30).
What are the key properties of 6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-amine?
6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-amine has a molecular weight of 478.64 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-amine is sourced from PubChem (CID 129072681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).