N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide

C23H20N4O4 — CID 55794278

IUPACN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c2ccccc21
InChIInChI=1S/C23H20N4O4/c1-27-20-7-3-2-6-18(20)19(13-21(27)28)22(29)25-15-8-10-16(11-9-15)26-23(30)24-14-17-5-4-12-31-17/h2-13H,14H2,1H3,(H,25,29)(H2,24,26,30)
InChIKeyWHPSHCPXTZBXAC-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.71
Rot. Bonds5

About N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide

N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 55794278) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID55794278
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC NameN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c2ccccc21
InChIInChI=1S/C23H20N4O4/c1-27-20-7-3-2-6-18(20)19(13-21(27)28)22(29)25-15-8-10-16(11-9-15)26-23(30)24-14-17-5-4-12-31-17/h2-13H,14H2,1H3,(H,25,29)(H2,24,26,30)
InChIKeyWHPSHCPXTZBXAC-UHFFFAOYSA-N
XLogP3.71
TPSA105.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
CID 55909182
N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 91822577
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 35336042
N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694467
1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 138583118
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2,2-diphenylacetamide
CID 35335039
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55804308
N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694528
N-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55759235
1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide
CID 55787470
1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 110694470
1-methyl-2-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 55791000

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide (CID 55794278) is N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide is Cn1c(=O)cc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c2ccccc21.
What is the InChIKey of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is WHPSHCPXTZBXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-27-20-7-3-2-6-18(20)19(13-21(27)28)22(29)25-15-8-10-16(11-9-15)26-23(30)24-14-17-5-4-12-31-17/h2-13H,14H2,1H3,(H,25,29)(H2,24,26,30).
What are the key properties of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 55794278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).