6,7-dimethoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine

C22H27N3O3 — CID 118607459

IUPAC6,7-dimethoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine
SMILESCOc1cc2nc(-c3ccc(C)o3)cc(NC3CCN(C)CC3)c2cc1OC
InChIInChI=1S/C22H27N3O3/c1-14-5-6-20(28-14)19-12-17(23-15-7-9-25(2)10-8-15)16-11-21(26-3)22(27-4)13-18(16)24-19/h5-6,11-13,15H,7-10H2,1-4H3,(H,23,24)
InChIKeyJJGQHCGDEBOMSO-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.33
Rot. Bonds5

About 6,7-dimethoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine

6,7-dimethoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine (PubChem CID 118607459) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine
PubChem CID118607459
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name6,7-dimethoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine
SMILESCOc1cc2nc(-c3ccc(C)o3)cc(NC3CCN(C)CC3)c2cc1OC
InChIInChI=1S/C22H27N3O3/c1-14-5-6-20(28-14)19-12-17(23-15-7-9-25(2)10-8-15)16-11-21(26-3)22(27-4)13-18(16)24-19/h5-6,11-13,15H,7-10H2,1-4H3,(H,23,24)
InChIKeyJJGQHCGDEBOMSO-UHFFFAOYSA-N
XLogP4.33
TPSA59.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine (CID 118607459) is 6,7-dimethoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine is COc1cc2nc(-c3ccc(C)o3)cc(NC3CCN(C)CC3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine?
The InChIKey is JJGQHCGDEBOMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-14-5-6-20(28-14)19-12-17(23-15-7-9-25(2)10-8-15)16-11-21(26-3)22(27-4)13-18(16)24-19/h5-6,11-13,15H,7-10H2,1-4H3,(H,23,24).
What are the key properties of 6,7-dimethoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine?
6,7-dimethoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine has a molecular weight of 381.48 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)quinolin-4-amine is sourced from PubChem (CID 118607459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).