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

C25H23FN4O3 — CID 126617918

IUPACN-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide
SMILESCCc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Oc3ccnc(N)c3)c(F)c1)c(C)n2C
InChIInChI=1S/C25H23FN4O3/c1-4-15-5-7-20-18(11-15)24(31)23(14(2)30(20)3)25(32)29-16-6-8-21(19(26)12-16)33-17-9-10-28-22(27)13-17/h5-13H,4H2,1-3H3,(H2,27,28)(H,29,32)
InChIKeyLLIOGMJHPWCYCR-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.57
Rot. Bonds5

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

N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide (PubChem CID 126617918) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide
PubChem CID126617918
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC NameN-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide
SMILESCCc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Oc3ccnc(N)c3)c(F)c1)c(C)n2C
InChIInChI=1S/C25H23FN4O3/c1-4-15-5-7-20-18(11-15)24(31)23(14(2)30(20)3)25(32)29-16-6-8-21(19(26)12-16)33-17-9-10-28-22(27)13-17/h5-13H,4H2,1-3H3,(H2,27,28)(H,29,32)
InChIKeyLLIOGMJHPWCYCR-UHFFFAOYSA-N
XLogP4.57
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide (CID 126617918) is N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide is CCc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Oc3ccnc(N)c3)c(F)c1)c(C)n2C.
What is the InChIKey of N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide?
The InChIKey is LLIOGMJHPWCYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3/c1-4-15-5-7-20-18(11-15)24(31)23(14(2)30(20)3)25(32)29-16-6-8-21(19(26)12-16)33-17-9-10-28-22(27)13-17/h5-13H,4H2,1-3H3,(H2,27,28)(H,29,32).
What are the key properties of N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide?
N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide has a molecular weight of 446.48 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 126617918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).