N-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide

C26H23FN4O4 — CID 126617917

IUPACN-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide
SMILESCCc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Oc3ccnc(C(N)=O)c3)c(F)c1)c(C)n2C
InChIInChI=1S/C26H23FN4O4/c1-4-15-5-7-21-18(11-15)24(32)23(14(2)31(21)3)26(34)30-16-6-8-22(19(27)12-16)35-17-9-10-29-20(13-17)25(28)33/h5-13H,4H2,1-3H3,(H2,28,33)(H,30,34)
InChIKeyXUGVMBPFSWNFIY-UHFFFAOYSA-N
MW474.49 g/mol
LogP4.09
Rot. Bonds6

About N-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide

N-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide (PubChem CID 126617917) has the molecular formula C26H23FN4O4 and a molecular weight of 474.49 g/mol. Its IUPAC name is N-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide
PubChem CID126617917
Molecular FormulaC26H23FN4O4
Molecular Weight474.49 g/mol
Exact Mass474.17
IUPAC NameN-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide
SMILESCCc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Oc3ccnc(C(N)=O)c3)c(F)c1)c(C)n2C
InChIInChI=1S/C26H23FN4O4/c1-4-15-5-7-21-18(11-15)24(32)23(14(2)31(21)3)26(34)30-16-6-8-22(19(27)12-16)35-17-9-10-29-20(13-17)25(28)33/h5-13H,4H2,1-3H3,(H2,28,33)(H,30,34)
InChIKeyXUGVMBPFSWNFIY-UHFFFAOYSA-N
XLogP4.09
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide (CID 126617917) is N-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide is CCc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Oc3ccnc(C(N)=O)c3)c(F)c1)c(C)n2C.
What is the InChIKey of N-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide?
The InChIKey is XUGVMBPFSWNFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O4/c1-4-15-5-7-21-18(11-15)24(32)23(14(2)31(21)3)26(34)30-16-6-8-22(19(27)12-16)35-17-9-10-29-20(13-17)25(28)33/h5-13H,4H2,1-3H3,(H2,28,33)(H,30,34).
What are the key properties of N-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide?
N-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide has a molecular weight of 474.49 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 126617917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).