4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C22H22N2O4 — CID 155544770

IUPAC4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccco1
InChIInChI=1S/C22H22N2O4/c1-13-19(22(26)24-14-7-3-4-10-17(14)27-2)21(18-11-6-12-28-18)20-15(23-13)8-5-9-16(20)25/h3-4,6-7,10-12,21,23H,5,8-9H2,1-2H3,(H,24,26)
InChIKeyDOHGSZRKARZSJP-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.89
Rot. Bonds4

About 4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 155544770) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID155544770
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccco1
InChIInChI=1S/C22H22N2O4/c1-13-19(22(26)24-14-7-3-4-10-17(14)27-2)21(18-11-6-12-28-18)20-15(23-13)8-5-9-16(20)25/h3-4,6-7,10-12,21,23H,5,8-9H2,1-2H3,(H,24,26)
InChIKeyDOHGSZRKARZSJP-UHFFFAOYSA-N
XLogP3.89
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 155544770) is 4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccco1.
What is the InChIKey of 4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is DOHGSZRKARZSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-13-19(22(26)24-14-7-3-4-10-17(14)27-2)21(18-11-6-12-28-18)20-15(23-13)8-5-9-16(20)25/h3-4,6-7,10-12,21,23H,5,8-9H2,1-2H3,(H,24,26).
What are the key properties of 4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 155544770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).