3-(2-chlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one

C21H16ClFN4O — CID 118271310

IUPAC3-(2-chlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2ccccc2Cl)cc2cnc(Nc3ccc(F)cn3)cc21
InChIInChI=1S/C21H16ClFN4O/c1-2-27-18-10-20(26-19-8-7-14(23)12-25-19)24-11-13(18)9-16(21(27)28)15-5-3-4-6-17(15)22/h3-12H,2H2,1H3,(H,24,25,26)
InChIKeyNRANDNLZNDZJKK-UHFFFAOYSA-N
MW394.84 g/mol
LogP5.01
Rot. Bonds4

About 3-(2-chlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one

3-(2-chlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one (PubChem CID 118271310) has the molecular formula C21H16ClFN4O and a molecular weight of 394.84 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one
PubChem CID118271310
Molecular FormulaC21H16ClFN4O
Molecular Weight394.84 g/mol
Exact Mass394.10
IUPAC Name3-(2-chlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2ccccc2Cl)cc2cnc(Nc3ccc(F)cn3)cc21
InChIInChI=1S/C21H16ClFN4O/c1-2-27-18-10-20(26-19-8-7-14(23)12-25-19)24-11-13(18)9-16(21(27)28)15-5-3-4-6-17(15)22/h3-12H,2H2,1H3,(H,24,25,26)
InChIKeyNRANDNLZNDZJKK-UHFFFAOYSA-N
XLogP5.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.84
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one (CID 118271310) is 3-(2-chlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one is CCn1c(=O)c(-c2ccccc2Cl)cc2cnc(Nc3ccc(F)cn3)cc21.
What is the InChIKey of 3-(2-chlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one?
The InChIKey is NRANDNLZNDZJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O/c1-2-27-18-10-20(26-19-8-7-14(23)12-25-19)24-11-13(18)9-16(21(27)28)15-5-3-4-6-17(15)22/h3-12H,2H2,1H3,(H,24,25,26).
What are the key properties of 3-(2-chlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one?
3-(2-chlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one has a molecular weight of 394.84 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one is sourced from PubChem (CID 118271310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).