1-[6-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-7-fluoro-3-methyloctyl]-7-fluoro-1,5-naphthyridin-2-one

C25H30F2N4O3 — CID 71137972

IUPAC1-[6-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-7-fluoro-3-methyloctyl]-7-fluoro-1,5-naphthyridin-2-one
SMILESCC(CCC(NCc1cc2c(cn1)OCCO2)C(C)F)CCn1c(=O)ccc2ncc(F)cc21
InChIInChI=1S/C25H30F2N4O3/c1-16(7-8-31-22-11-18(27)13-29-21(22)5-6-25(31)32)3-4-20(17(2)26)30-14-19-12-23-24(15-28-19)34-10-9-33-23/h5-6,11-13,15-17,20,30H,3-4,7-10,14H2,1-2H3
InChIKeyQNMOYTMZFCXIBZ-UHFFFAOYSA-N
MW472.54 g/mol
LogP4.02
Rot. Bonds10

About 1-[6-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-7-fluoro-3-methyloctyl]-7-fluoro-1,5-naphthyridin-2-one

1-[6-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-7-fluoro-3-methyloctyl]-7-fluoro-1,5-naphthyridin-2-one (PubChem CID 71137972) has the molecular formula C25H30F2N4O3 and a molecular weight of 472.54 g/mol. Its IUPAC name is 1-[6-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-7-fluoro-3-methyloctyl]-7-fluoro-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[6-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-7-fluoro-3-methyloctyl]-7-fluoro-1,5-naphthyridin-2-one
PubChem CID71137972
Molecular FormulaC25H30F2N4O3
Molecular Weight472.54 g/mol
Exact Mass472.23
IUPAC Name1-[6-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-7-fluoro-3-methyloctyl]-7-fluoro-1,5-naphthyridin-2-one
SMILESCC(CCC(NCc1cc2c(cn1)OCCO2)C(C)F)CCn1c(=O)ccc2ncc(F)cc21
InChIInChI=1S/C25H30F2N4O3/c1-16(7-8-31-22-11-18(27)13-29-21(22)5-6-25(31)32)3-4-20(17(2)26)30-14-19-12-23-24(15-28-19)34-10-9-33-23/h5-6,11-13,15-17,20,30H,3-4,7-10,14H2,1-2H3
InChIKeyQNMOYTMZFCXIBZ-UHFFFAOYSA-N
XLogP4.02
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[6-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-7-fluoro-3-methyloctyl]-7-fluoro-1,5-naphthyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

bis(1-[2-[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one);methane
CID 158178400
1-[2-[(2S)-2-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]morpholin-4-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
CID 25032544
1-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride
CID 67539702
1-[[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]methyl]-7-fluoro-1,5-naphthyridin-2-one
CID 154556748
1-[[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]methyl]-7-methyl-1,5-naphthyridin-2-one
CID 143586130
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
CID 159025223
1-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-5-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one
CID 25030977
1-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl(propyl)amino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one
CID 70660325
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-isocyanoquinoxalin-2-one
CID 59397978
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-hydroxycyclohexyl]ethyl]-7-methylquinoxalin-2-one;1-[2-(1-hydroxy-4-oxocyclohexyl)ethyl]-7-methylquinoxalin-2-one
CID 159727194
4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)heptan-3-ol
CID 143612702
2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)acetic acid
CID 70648615

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-7-fluoro-3-methyloctyl]-7-fluoro-1,5-naphthyridin-2-one?
The IUPAC name of 1-[6-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-7-fluoro-3-methyloctyl]-7-fluoro-1,5-naphthyridin-2-one (CID 71137972) is 1-[6-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-7-fluoro-3-methyloctyl]-7-fluoro-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[6-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-7-fluoro-3-methyloctyl]-7-fluoro-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[6-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-7-fluoro-3-methyloctyl]-7-fluoro-1,5-naphthyridin-2-one is CC(CCC(NCc1cc2c(cn1)OCCO2)C(C)F)CCn1c(=O)ccc2ncc(F)cc21.
What is the InChIKey of 1-[6-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-7-fluoro-3-methyloctyl]-7-fluoro-1,5-naphthyridin-2-one?
The InChIKey is QNMOYTMZFCXIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N4O3/c1-16(7-8-31-22-11-18(27)13-29-21(22)5-6-25(31)32)3-4-20(17(2)26)30-14-19-12-23-24(15-28-19)34-10-9-33-23/h5-6,11-13,15-17,20,30H,3-4,7-10,14H2,1-2H3.
What are the key properties of 1-[6-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-7-fluoro-3-methyloctyl]-7-fluoro-1,5-naphthyridin-2-one?
1-[6-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-7-fluoro-3-methyloctyl]-7-fluoro-1,5-naphthyridin-2-one has a molecular weight of 472.54 g/mol, XLogP of 4.02, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-7-fluoro-3-methyloctyl]-7-fluoro-1,5-naphthyridin-2-one is sourced from PubChem (CID 71137972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).