6-(3-chloro-4-fluorophenyl)-1-[2-(6-methoxy-4-methyl-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one

C26H23ClFN3O3 — CID 70927472

IUPAC6-(3-chloro-4-fluorophenyl)-1-[2-(6-methoxy-4-methyl-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCOc1cc(C)c2c(c1)CN(C(=O)CN1C(=O)CCc3cc(-c4ccc(F)c(Cl)c4)cnc31)C2
InChIInChI=1S/C26H23ClFN3O3/c1-15-7-20(34-2)9-19-12-30(13-21(15)19)25(33)14-31-24(32)6-4-17-8-18(11-29-26(17)31)16-3-5-23(28)22(27)10-16/h3,5,7-11H,4,6,12-14H2,1-2H3
InChIKeySKQGCTRNHLEZSG-UHFFFAOYSA-N
MW479.94 g/mol
LogP4.68
Rot. Bonds4

About 6-(3-chloro-4-fluorophenyl)-1-[2-(6-methoxy-4-methyl-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one

6-(3-chloro-4-fluorophenyl)-1-[2-(6-methoxy-4-methyl-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one (PubChem CID 70927472) has the molecular formula C26H23ClFN3O3 and a molecular weight of 479.94 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenyl)-1-[2-(6-methoxy-4-methyl-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenyl)-1-[2-(6-methoxy-4-methyl-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one
PubChem CID70927472
Molecular FormulaC26H23ClFN3O3
Molecular Weight479.94 g/mol
Exact Mass479.14
IUPAC Name6-(3-chloro-4-fluorophenyl)-1-[2-(6-methoxy-4-methyl-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCOc1cc(C)c2c(c1)CN(C(=O)CN1C(=O)CCc3cc(-c4ccc(F)c(Cl)c4)cnc31)C2
InChIInChI=1S/C26H23ClFN3O3/c1-15-7-20(34-2)9-19-12-30(13-21(15)19)25(33)14-31-24(32)6-4-17-8-18(11-29-26(17)31)16-3-5-23(28)22(27)10-16/h3,5,7-11H,4,6,12-14H2,1-2H3
InChIKeySKQGCTRNHLEZSG-UHFFFAOYSA-N
XLogP4.68
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.94
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(3-chloro-4-fluorophenyl)-1-[2-(6-methoxy-4-methyl-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenyl)-1-[2-(6-methoxy-4-methyl-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one?
The IUPAC name of 6-(3-chloro-4-fluorophenyl)-1-[2-(6-methoxy-4-methyl-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one (CID 70927472) is 6-(3-chloro-4-fluorophenyl)-1-[2-(6-methoxy-4-methyl-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(3-chloro-4-fluorophenyl)-1-[2-(6-methoxy-4-methyl-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(3-chloro-4-fluorophenyl)-1-[2-(6-methoxy-4-methyl-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one is COc1cc(C)c2c(c1)CN(C(=O)CN1C(=O)CCc3cc(-c4ccc(F)c(Cl)c4)cnc31)C2.
What is the InChIKey of 6-(3-chloro-4-fluorophenyl)-1-[2-(6-methoxy-4-methyl-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one?
The InChIKey is SKQGCTRNHLEZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN3O3/c1-15-7-20(34-2)9-19-12-30(13-21(15)19)25(33)14-31-24(32)6-4-17-8-18(11-29-26(17)31)16-3-5-23(28)22(27)10-16/h3,5,7-11H,4,6,12-14H2,1-2H3.
What are the key properties of 6-(3-chloro-4-fluorophenyl)-1-[2-(6-methoxy-4-methyl-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one?
6-(3-chloro-4-fluorophenyl)-1-[2-(6-methoxy-4-methyl-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one has a molecular weight of 479.94 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenyl)-1-[2-(6-methoxy-4-methyl-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one is sourced from PubChem (CID 70927472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).