5-[(7-chloro-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;ethane

C25H31ClN4O6 — CID 142192248

IUPAC5-[(7-chloro-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;ethane
SMILESCC.COc1nc(OC)c(NC(=O)c2ccc(Oc3cc4c(cc3Cl)NCCC4(C)C)o2)c(OC)n1
InChIInChI=1S/C23H25ClN4O6.C2H6/c1-23(2)8-9-25-14-11-13(24)16(10-12(14)23)34-17-7-6-15(33-17)19(29)26-18-20(30-3)27-22(32-5)28-21(18)31-4;1-2/h6-7,10-11,25H,8-9H2,1-5H3,(H,26,29);1-2H3
InChIKeyBIDFIUFUBKBFRU-UHFFFAOYSA-N
MW519.00 g/mol
LogP5.91
Rot. Bonds7

About 5-[(7-chloro-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;ethane

5-[(7-chloro-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;ethane (PubChem CID 142192248) has the molecular formula C25H31ClN4O6 and a molecular weight of 519.00 g/mol. Its IUPAC name is 5-[(7-chloro-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;ethane.

Molecular Properties

Compound Name5-[(7-chloro-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;ethane
PubChem CID142192248
Molecular FormulaC25H31ClN4O6
Molecular Weight519.00 g/mol
Exact Mass518.19
IUPAC Name5-[(7-chloro-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;ethane
SMILESCC.COc1nc(OC)c(NC(=O)c2ccc(Oc3cc4c(cc3Cl)NCCC4(C)C)o2)c(OC)n1
InChIInChI=1S/C23H25ClN4O6.C2H6/c1-23(2)8-9-25-14-11-13(24)16(10-12(14)23)34-17-7-6-15(33-17)19(29)26-18-20(30-3)27-22(32-5)28-21(18)31-4;1-2/h6-7,10-11,25H,8-9H2,1-5H3,(H,26,29);1-2H3
InChIKeyBIDFIUFUBKBFRU-UHFFFAOYSA-N
XLogP5.91
TPSA116.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.00
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[(7-chloro-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(7-chloro-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;ethane?
The IUPAC name of 5-[(7-chloro-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;ethane (CID 142192248) is 5-[(7-chloro-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;ethane.
What is the SMILES notation for 5-[(7-chloro-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;ethane?
The canonical SMILES for 5-[(7-chloro-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;ethane is CC.COc1nc(OC)c(NC(=O)c2ccc(Oc3cc4c(cc3Cl)NCCC4(C)C)o2)c(OC)n1.
What is the InChIKey of 5-[(7-chloro-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;ethane?
The InChIKey is BIDFIUFUBKBFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O6.C2H6/c1-23(2)8-9-25-14-11-13(24)16(10-12(14)23)34-17-7-6-15(33-17)19(29)26-18-20(30-3)27-22(32-5)28-21(18)31-4;1-2/h6-7,10-11,25H,8-9H2,1-5H3,(H,26,29);1-2H3.
What are the key properties of 5-[(7-chloro-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;ethane?
5-[(7-chloro-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;ethane has a molecular weight of 519.00 g/mol, XLogP of 5.91, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-chloro-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;ethane is sourced from PubChem (CID 142192248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).