4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethylquinoline-3,6-dicarboxamide

C24H26N4O4 — CID 11212689

IUPAC4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethylquinoline-3,6-dicarboxamide
SMILESCOCCN(C)C(=O)c1cc(C)c2ncc(C(N)=O)c(Nc3cccc4c3CCO4)c2c1
InChIInChI=1S/C24H26N4O4/c1-14-11-15(24(30)28(2)8-10-31-3)12-17-21(14)26-13-18(23(25)29)22(17)27-19-5-4-6-20-16(19)7-9-32-20/h4-6,11-13H,7-10H2,1-3H3,(H2,25,29)(H,26,27)
InChIKeyGTQPZTDPSUFHHM-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.04
Rot. Bonds7

About 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethylquinoline-3,6-dicarboxamide

4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethylquinoline-3,6-dicarboxamide (PubChem CID 11212689) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethylquinoline-3,6-dicarboxamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethylquinoline-3,6-dicarboxamide
PubChem CID11212689
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethylquinoline-3,6-dicarboxamide
SMILESCOCCN(C)C(=O)c1cc(C)c2ncc(C(N)=O)c(Nc3cccc4c3CCO4)c2c1
InChIInChI=1S/C24H26N4O4/c1-14-11-15(24(30)28(2)8-10-31-3)12-17-21(14)26-13-18(23(25)29)22(17)27-19-5-4-6-20-16(19)7-9-32-20/h4-6,11-13H,7-10H2,1-3H3,(H2,25,29)(H,26,27)
InChIKeyGTQPZTDPSUFHHM-UHFFFAOYSA-N
XLogP3.04
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethylquinoline-3,6-dicarboxamide?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethylquinoline-3,6-dicarboxamide (CID 11212689) is 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethylquinoline-3,6-dicarboxamide.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethylquinoline-3,6-dicarboxamide?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethylquinoline-3,6-dicarboxamide is COCCN(C)C(=O)c1cc(C)c2ncc(C(N)=O)c(Nc3cccc4c3CCO4)c2c1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethylquinoline-3,6-dicarboxamide?
The InChIKey is GTQPZTDPSUFHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-14-11-15(24(30)28(2)8-10-31-3)12-17-21(14)26-13-18(23(25)29)22(17)27-19-5-4-6-20-16(19)7-9-32-20/h4-6,11-13H,7-10H2,1-3H3,(H2,25,29)(H,26,27).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethylquinoline-3,6-dicarboxamide?
4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethylquinoline-3,6-dicarboxamide has a molecular weight of 434.50 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethylquinoline-3,6-dicarboxamide is sourced from PubChem (CID 11212689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).