6-[[3-(fluoromethoxy)phenyl]methyl]-2-hydroxy-4-methyl-2,3-dihydro-1H-indolo[2,3-c][1,8]naphthyridine-7-carboxylic acid

C24H22FN3O4 — CID 66955453

IUPAC6-[[3-(fluoromethoxy)phenyl]methyl]-2-hydroxy-4-methyl-2,3-dihydro-1H-indolo[2,3-c][1,8]naphthyridine-7-carboxylic acid
SMILESCN1CC(O)Cc2c1nc(Cc1cccc(OCF)c1)c1c2c2ccccc2n1C(=O)O
InChIInChI=1S/C24H22FN3O4/c1-27-12-15(29)11-18-21-17-7-2-3-8-20(17)28(24(30)31)22(21)19(26-23(18)27)10-14-5-4-6-16(9-14)32-13-25/h2-9,15,29H,10-13H2,1H3,(H,30,31)
InChIKeyZFGCAGAPERNICQ-UHFFFAOYSA-N
MW435.46 g/mol
LogP3.97
Rot. Bonds4

About 6-[[3-(fluoromethoxy)phenyl]methyl]-2-hydroxy-4-methyl-2,3-dihydro-1H-indolo[2,3-c][1,8]naphthyridine-7-carboxylic acid

6-[[3-(fluoromethoxy)phenyl]methyl]-2-hydroxy-4-methyl-2,3-dihydro-1H-indolo[2,3-c][1,8]naphthyridine-7-carboxylic acid (PubChem CID 66955453) has the molecular formula C24H22FN3O4 and a molecular weight of 435.46 g/mol. Its IUPAC name is 6-[[3-(fluoromethoxy)phenyl]methyl]-2-hydroxy-4-methyl-2,3-dihydro-1H-indolo[2,3-c][1,8]naphthyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-[[3-(fluoromethoxy)phenyl]methyl]-2-hydroxy-4-methyl-2,3-dihydro-1H-indolo[2,3-c][1,8]naphthyridine-7-carboxylic acid
PubChem CID66955453
Molecular FormulaC24H22FN3O4
Molecular Weight435.46 g/mol
Exact Mass435.16
IUPAC Name6-[[3-(fluoromethoxy)phenyl]methyl]-2-hydroxy-4-methyl-2,3-dihydro-1H-indolo[2,3-c][1,8]naphthyridine-7-carboxylic acid
SMILESCN1CC(O)Cc2c1nc(Cc1cccc(OCF)c1)c1c2c2ccccc2n1C(=O)O
InChIInChI=1S/C24H22FN3O4/c1-27-12-15(29)11-18-21-17-7-2-3-8-20(17)28(24(30)31)22(21)19(26-23(18)27)10-14-5-4-6-16(9-14)32-13-25/h2-9,15,29H,10-13H2,1H3,(H,30,31)
InChIKeyZFGCAGAPERNICQ-UHFFFAOYSA-N
XLogP3.97
TPSA87.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[3-(fluoromethoxy)phenyl]methyl]-2-hydroxy-4-methyl-2,3-dihydro-1H-indolo[2,3-c][1,8]naphthyridine-7-carboxylic acid with MolForge

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Related Compounds

6-[[3-(fluoromethoxy)phenyl]methyl]-4-methyl-1,2,3,7-tetrahydroindolo[2,3-c][1,8]naphthyridine
CID 66955676
1-benzyl-3-(fluoromethoxy)benzene
CID 173286107
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(methylamino)-4-(3-phenylmethoxypropyl)pyrido[3,4-b]indole-9-carboxylic acid
CID 66955478
[3-(fluoromethoxy)phenyl]methanol
CID 130445893
1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)indole-2-carboxylic acid
CID 10274111
3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
CID 68724550
N-[(3-methoxyphenyl)methyl]-1-methyl-4-oxoquinazoline-2-carboxamide
CID 59652368
3-[4-(cyclopropylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 10297013
8-fluoro-9-[(3-phenylmethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174440705
5-oxo-1-[[3-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 20990768
1-benzyl-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid
CID 90752239
4-[(3-propan-2-yloxyphenyl)methyl]-2H-phthalazin-1-one
CID 82371112

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(fluoromethoxy)phenyl]methyl]-2-hydroxy-4-methyl-2,3-dihydro-1H-indolo[2,3-c][1,8]naphthyridine-7-carboxylic acid?
The IUPAC name of 6-[[3-(fluoromethoxy)phenyl]methyl]-2-hydroxy-4-methyl-2,3-dihydro-1H-indolo[2,3-c][1,8]naphthyridine-7-carboxylic acid (CID 66955453) is 6-[[3-(fluoromethoxy)phenyl]methyl]-2-hydroxy-4-methyl-2,3-dihydro-1H-indolo[2,3-c][1,8]naphthyridine-7-carboxylic acid.
What is the SMILES notation for 6-[[3-(fluoromethoxy)phenyl]methyl]-2-hydroxy-4-methyl-2,3-dihydro-1H-indolo[2,3-c][1,8]naphthyridine-7-carboxylic acid?
The canonical SMILES for 6-[[3-(fluoromethoxy)phenyl]methyl]-2-hydroxy-4-methyl-2,3-dihydro-1H-indolo[2,3-c][1,8]naphthyridine-7-carboxylic acid is CN1CC(O)Cc2c1nc(Cc1cccc(OCF)c1)c1c2c2ccccc2n1C(=O)O.
What is the InChIKey of 6-[[3-(fluoromethoxy)phenyl]methyl]-2-hydroxy-4-methyl-2,3-dihydro-1H-indolo[2,3-c][1,8]naphthyridine-7-carboxylic acid?
The InChIKey is ZFGCAGAPERNICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O4/c1-27-12-15(29)11-18-21-17-7-2-3-8-20(17)28(24(30)31)22(21)19(26-23(18)27)10-14-5-4-6-16(9-14)32-13-25/h2-9,15,29H,10-13H2,1H3,(H,30,31).
What are the key properties of 6-[[3-(fluoromethoxy)phenyl]methyl]-2-hydroxy-4-methyl-2,3-dihydro-1H-indolo[2,3-c][1,8]naphthyridine-7-carboxylic acid?
6-[[3-(fluoromethoxy)phenyl]methyl]-2-hydroxy-4-methyl-2,3-dihydro-1H-indolo[2,3-c][1,8]naphthyridine-7-carboxylic acid has a molecular weight of 435.46 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(fluoromethoxy)phenyl]methyl]-2-hydroxy-4-methyl-2,3-dihydro-1H-indolo[2,3-c][1,8]naphthyridine-7-carboxylic acid is sourced from PubChem (CID 66955453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).