2-[6-[(3-fluoro-4-hydroxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridin-3-yl]propanamide

C24H21FN4O3 — CID 91333576

IUPAC2-[6-[(3-fluoro-4-hydroxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridin-3-yl]propanamide
SMILESCC(C(N)=O)N1CC(=O)c2c(nc(Cc3ccc(O)c(F)c3)c3[nH]c4ccccc4c23)C1
InChIInChI=1S/C24H21FN4O3/c1-12(24(26)32)29-10-18-22(20(31)11-29)21-14-4-2-3-5-16(14)28-23(21)17(27-18)9-13-6-7-19(30)15(25)8-13/h2-8,12,28,30H,9-11H2,1H3,(H2,26,32)
InChIKeyRNMZMEJDRMTVPO-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.02
Rot. Bonds4

About 2-[6-[(3-fluoro-4-hydroxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridin-3-yl]propanamide

2-[6-[(3-fluoro-4-hydroxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridin-3-yl]propanamide (PubChem CID 91333576) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is 2-[6-[(3-fluoro-4-hydroxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridin-3-yl]propanamide.

Molecular Properties

Compound Name2-[6-[(3-fluoro-4-hydroxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridin-3-yl]propanamide
PubChem CID91333576
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name2-[6-[(3-fluoro-4-hydroxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridin-3-yl]propanamide
SMILESCC(C(N)=O)N1CC(=O)c2c(nc(Cc3ccc(O)c(F)c3)c3[nH]c4ccccc4c23)C1
InChIInChI=1S/C24H21FN4O3/c1-12(24(26)32)29-10-18-22(20(31)11-29)21-14-4-2-3-5-16(14)28-23(21)17(27-18)9-13-6-7-19(30)15(25)8-13/h2-8,12,28,30H,9-11H2,1H3,(H2,26,32)
InChIKeyRNMZMEJDRMTVPO-UHFFFAOYSA-N
XLogP3.02
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3-fluoro-4-hydroxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridin-3-yl]propanamide?
The IUPAC name of 2-[6-[(3-fluoro-4-hydroxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridin-3-yl]propanamide (CID 91333576) is 2-[6-[(3-fluoro-4-hydroxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridin-3-yl]propanamide.
What is the SMILES notation for 2-[6-[(3-fluoro-4-hydroxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridin-3-yl]propanamide?
The canonical SMILES for 2-[6-[(3-fluoro-4-hydroxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridin-3-yl]propanamide is CC(C(N)=O)N1CC(=O)c2c(nc(Cc3ccc(O)c(F)c3)c3[nH]c4ccccc4c23)C1.
What is the InChIKey of 2-[6-[(3-fluoro-4-hydroxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridin-3-yl]propanamide?
The InChIKey is RNMZMEJDRMTVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-12(24(26)32)29-10-18-22(20(31)11-29)21-14-4-2-3-5-16(14)28-23(21)17(27-18)9-13-6-7-19(30)15(25)8-13/h2-8,12,28,30H,9-11H2,1H3,(H2,26,32).
What are the key properties of 2-[6-[(3-fluoro-4-hydroxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridin-3-yl]propanamide?
2-[6-[(3-fluoro-4-hydroxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridin-3-yl]propanamide has a molecular weight of 432.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3-fluoro-4-hydroxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridin-3-yl]propanamide is sourced from PubChem (CID 91333576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).