3-(2-chlorophenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one

C17H16ClN3O — CID 141205535

IUPAC3-(2-chlorophenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2ccccc2Cl)cc2cnc(NC)cc21
InChIInChI=1S/C17H16ClN3O/c1-3-21-15-9-16(19-2)20-10-11(15)8-13(17(21)22)12-6-4-5-7-14(12)18/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyRLUVNPVOLHSNLM-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.78
Rot. Bonds3

About 3-(2-chlorophenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one

3-(2-chlorophenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one (PubChem CID 141205535) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one
PubChem CID141205535
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name3-(2-chlorophenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2ccccc2Cl)cc2cnc(NC)cc21
InChIInChI=1S/C17H16ClN3O/c1-3-21-15-9-16(19-2)20-10-11(15)8-13(17(21)22)12-6-4-5-7-14(12)18/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyRLUVNPVOLHSNLM-UHFFFAOYSA-N
XLogP3.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-chloro-4-fluoro-5-(methylideneamino)phenyl]-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one
CID 155198193
3-(2,6-dichlorophenyl)-7-[4-[2-(diethylamino)ethoxy]anilino]-1-ethyl-1,6-naphthyridin-2-one
CID 22124644
1-ethyl-2-oxo-3-phenyl-1,6-naphthyridine-7-carbonitrile
CID 118400055
7,8-bis(2-chlorophenyl)-1,4-diethylpyrazino[2,3-g]quinoxaline-2,3-dione
CID 10097133
1-[4-chloro-5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluorophenyl]-3-(3-fluoro-5-methylphenyl)-1-methylurea
CID 118496540
1-ethyl-7-(methylamino)-3-penta-2,4-dien-2-yl-1,6-naphthyridin-2-one
CID 123476129
1-ethyl-7-[[5-(3-hydroxypropyl)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one
CID 159307659
3-(2,6-difluorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one
CID 118400003
3-(2-chlorophenyl)-1-methyl-7-(3-piperidin-1-ylanilino)-1,6-naphthyridin-2-one
CID 165057275
3-(5-amino-2-chloro-4-fluorophenyl)-1-ethyl-7-(2-methylsulfanylethylamino)-1,6-naphthyridin-2-one
CID 86713653
1-[4-chloro-5-[1-ethyl-7-(2-methylsulfanylethylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluorophenyl]-3-phenylurea
CID 86713652
2-anilino-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 141354763

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one (CID 141205535) is 3-(2-chlorophenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one is CCn1c(=O)c(-c2ccccc2Cl)cc2cnc(NC)cc21.
What is the InChIKey of 3-(2-chlorophenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one?
The InChIKey is RLUVNPVOLHSNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-3-21-15-9-16(19-2)20-10-11(15)8-13(17(21)22)12-6-4-5-7-14(12)18/h4-10H,3H2,1-2H3,(H,19,20).
What are the key properties of 3-(2-chlorophenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one?
3-(2-chlorophenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one has a molecular weight of 313.79 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one is sourced from PubChem (CID 141205535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).