1-[2-chloro-3-fluoro-4-(3-fluorophenyl)-6-methoxyphenyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one

C21H17ClF2N2O2 — CID 146232784

IUPAC1-[2-chloro-3-fluoro-4-(3-fluorophenyl)-6-methoxyphenyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESCOc1cc(-c2cccc(F)c2)c(F)c(Cl)c1-n1c2c(ccc1=O)CNCC2
InChIInChI=1S/C21H17ClF2N2O2/c1-28-17-10-15(12-3-2-4-14(23)9-12)20(24)19(22)21(17)26-16-7-8-25-11-13(16)5-6-18(26)27/h2-6,9-10,25H,7-8,11H2,1H3
InChIKeyPIWRJQZILHRXPE-UHFFFAOYSA-N
MW402.83 g/mol
LogP4.09
Rot. Bonds3

About 1-[2-chloro-3-fluoro-4-(3-fluorophenyl)-6-methoxyphenyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one

1-[2-chloro-3-fluoro-4-(3-fluorophenyl)-6-methoxyphenyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one (PubChem CID 146232784) has the molecular formula C21H17ClF2N2O2 and a molecular weight of 402.83 g/mol. Its IUPAC name is 1-[2-chloro-3-fluoro-4-(3-fluorophenyl)-6-methoxyphenyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-chloro-3-fluoro-4-(3-fluorophenyl)-6-methoxyphenyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one
PubChem CID146232784
Molecular FormulaC21H17ClF2N2O2
Molecular Weight402.83 g/mol
Exact Mass402.09
IUPAC Name1-[2-chloro-3-fluoro-4-(3-fluorophenyl)-6-methoxyphenyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESCOc1cc(-c2cccc(F)c2)c(F)c(Cl)c1-n1c2c(ccc1=O)CNCC2
InChIInChI=1S/C21H17ClF2N2O2/c1-28-17-10-15(12-3-2-4-14(23)9-12)20(24)19(22)21(17)26-16-7-8-25-11-13(16)5-6-18(26)27/h2-6,9-10,25H,7-8,11H2,1H3
InChIKeyPIWRJQZILHRXPE-UHFFFAOYSA-N
XLogP4.09
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.83
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 172909122
3-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)benzoic acid
CID 82583495
[1-[5-fluoro-4-(3-fluorophenyl)-2-methoxyphenyl]-2-oxoquinolin-6-yl] thiohypochlorite
CID 144758982
3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene
CID 118149747
ethyl 6-chloro-7-(3-fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate
CID 66585038
3-(3-fluorophenyl)-6,7-dimethoxy-1H-quinolin-2-one
CID 176902560
4-(3-fluorophenyl)-2-methoxy-5-methylaniline
CID 171037302
9-(3-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 68580169
1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-2-oxo-N-pyrimidin-2-ylquinoline-6-sulfinamide
CID 144758981
1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene
CID 175734991
1-(2,6-difluorophenyl)-3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587765
3-(3-fluorophenyl)-4-methoxybenzoic acid
CID 39349091

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-3-fluoro-4-(3-fluorophenyl)-6-methoxyphenyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one?
The IUPAC name of 1-[2-chloro-3-fluoro-4-(3-fluorophenyl)-6-methoxyphenyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one (CID 146232784) is 1-[2-chloro-3-fluoro-4-(3-fluorophenyl)-6-methoxyphenyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-[2-chloro-3-fluoro-4-(3-fluorophenyl)-6-methoxyphenyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 1-[2-chloro-3-fluoro-4-(3-fluorophenyl)-6-methoxyphenyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one is COc1cc(-c2cccc(F)c2)c(F)c(Cl)c1-n1c2c(ccc1=O)CNCC2.
What is the InChIKey of 1-[2-chloro-3-fluoro-4-(3-fluorophenyl)-6-methoxyphenyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one?
The InChIKey is PIWRJQZILHRXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N2O2/c1-28-17-10-15(12-3-2-4-14(23)9-12)20(24)19(22)21(17)26-16-7-8-25-11-13(16)5-6-18(26)27/h2-6,9-10,25H,7-8,11H2,1H3.
What are the key properties of 1-[2-chloro-3-fluoro-4-(3-fluorophenyl)-6-methoxyphenyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one?
1-[2-chloro-3-fluoro-4-(3-fluorophenyl)-6-methoxyphenyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one has a molecular weight of 402.83 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-3-fluoro-4-(3-fluorophenyl)-6-methoxyphenyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 146232784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).