4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-(2,6-dimethylmorpholine-4-carbonyl)-8-methylquinoline-3-carboxamide

C26H28N4O4 — CID 11397019

IUPAC4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-(2,6-dimethylmorpholine-4-carbonyl)-8-methylquinoline-3-carboxamide
SMILESCc1cc(C(=O)N2CC(C)OC(C)C2)cc2c(Nc3cccc4c3CCO4)c(C(N)=O)cnc12
InChIInChI=1S/C26H28N4O4/c1-14-9-17(26(32)30-12-15(2)34-16(3)13-30)10-19-23(14)28-11-20(25(27)31)24(19)29-21-5-4-6-22-18(21)7-8-33-22/h4-6,9-11,15-16H,7-8,12-13H2,1-3H3,(H2,27,31)(H,28,29)
InChIKeyDTLGLRXUZOZZPD-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.57
Rot. Bonds4

About 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-(2,6-dimethylmorpholine-4-carbonyl)-8-methylquinoline-3-carboxamide

4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-(2,6-dimethylmorpholine-4-carbonyl)-8-methylquinoline-3-carboxamide (PubChem CID 11397019) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-(2,6-dimethylmorpholine-4-carbonyl)-8-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-(2,6-dimethylmorpholine-4-carbonyl)-8-methylquinoline-3-carboxamide
PubChem CID11397019
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-(2,6-dimethylmorpholine-4-carbonyl)-8-methylquinoline-3-carboxamide
SMILESCc1cc(C(=O)N2CC(C)OC(C)C2)cc2c(Nc3cccc4c3CCO4)c(C(N)=O)cnc12
InChIInChI=1S/C26H28N4O4/c1-14-9-17(26(32)30-12-15(2)34-16(3)13-30)10-19-23(14)28-11-20(25(27)31)24(19)29-21-5-4-6-22-18(21)7-8-33-22/h4-6,9-11,15-16H,7-8,12-13H2,1-3H3,(H2,27,31)(H,28,29)
InChIKeyDTLGLRXUZOZZPD-UHFFFAOYSA-N
XLogP3.57
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.57
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-(2,6-dimethylmorpholine-4-carbonyl)-8-methylquinoline-3-carboxamide?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-(2,6-dimethylmorpholine-4-carbonyl)-8-methylquinoline-3-carboxamide (CID 11397019) is 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-(2,6-dimethylmorpholine-4-carbonyl)-8-methylquinoline-3-carboxamide.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-(2,6-dimethylmorpholine-4-carbonyl)-8-methylquinoline-3-carboxamide?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-(2,6-dimethylmorpholine-4-carbonyl)-8-methylquinoline-3-carboxamide is Cc1cc(C(=O)N2CC(C)OC(C)C2)cc2c(Nc3cccc4c3CCO4)c(C(N)=O)cnc12.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-(2,6-dimethylmorpholine-4-carbonyl)-8-methylquinoline-3-carboxamide?
The InChIKey is DTLGLRXUZOZZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-14-9-17(26(32)30-12-15(2)34-16(3)13-30)10-19-23(14)28-11-20(25(27)31)24(19)29-21-5-4-6-22-18(21)7-8-33-22/h4-6,9-11,15-16H,7-8,12-13H2,1-3H3,(H2,27,31)(H,28,29).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-(2,6-dimethylmorpholine-4-carbonyl)-8-methylquinoline-3-carboxamide?
4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-(2,6-dimethylmorpholine-4-carbonyl)-8-methylquinoline-3-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 3.57, 4 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-(2,6-dimethylmorpholine-4-carbonyl)-8-methylquinoline-3-carboxamide is sourced from PubChem (CID 11397019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).