2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone

C24H23N3O3 — CID 68558078

IUPAC2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone
SMILESCOc1ccc(Cc2nc3c(c4c2[nH]c2ccccc24)CCN(C(=O)CO)C3)cc1
InChIInChI=1S/C24H23N3O3/c1-30-16-8-6-15(7-9-16)12-20-24-23(17-4-2-3-5-19(17)26-24)18-10-11-27(22(29)14-28)13-21(18)25-20/h2-9,26,28H,10-14H2,1H3
InChIKeyKXOMQYDTJZUKEI-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.19
Rot. Bonds4

About 2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone

2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone (PubChem CID 68558078) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone
PubChem CID68558078
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone
SMILESCOc1ccc(Cc2nc3c(c4c2[nH]c2ccccc24)CCN(C(=O)CO)C3)cc1
InChIInChI=1S/C24H23N3O3/c1-30-16-8-6-15(7-9-16)12-20-24-23(17-4-2-3-5-19(17)26-24)18-10-11-27(22(29)14-28)13-21(18)25-20/h2-9,26,28H,10-14H2,1H3
InChIKeyKXOMQYDTJZUKEI-UHFFFAOYSA-N
XLogP3.19
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]-3-hydroxybutan-1-one
CID 68574430
1-[6-[(4-fluoro-3-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone
CID 68559478
[6-[(3,5-difluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]-[(1R,2S)-2-hydroxycyclopentyl]methanone
CID 68559094
6-[(4-methoxyphenyl)methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c]quinolin-2-ol
CID 44819444
1-[6-(1,3-benzodioxol-5-ylmethyl)-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]-2-hydroxypropan-1-one
CID 44820338
1-methoxy-6-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinoline
CID 44818182
6-[(3-fluoro-4-methoxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridine-3-carboxylic acid
CID 90967718
N-[(2S)-3-hydroxy-1-oxo-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-yl]-4-methoxybenzenesulfonamide
CID 6724386
[4-[(1-oxo-2,3,4,7-tetrahydroindolo[2,3-c]quinolin-6-yl)methyl]phenyl]urea
CID 68714595
(3-methoxyphenyl)-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 11594688
1-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-(4-methylphenoxy)ethanone
CID 113090208
1-[(3R)-3-[[(4S)-6-[(3-fluoro-4-methoxyphenyl)methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c]quinolin-4-yl]amino]piperidin-1-yl]ethanone
CID 44819785

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone (CID 68558078) is 2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone is COc1ccc(Cc2nc3c(c4c2[nH]c2ccccc24)CCN(C(=O)CO)C3)cc1.
What is the InChIKey of 2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone?
The InChIKey is KXOMQYDTJZUKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-30-16-8-6-15(7-9-16)12-20-24-23(17-4-2-3-5-19(17)26-24)18-10-11-27(22(29)14-28)13-21(18)25-20/h2-9,26,28H,10-14H2,1H3.
What are the key properties of 2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone?
2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone has a molecular weight of 401.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone is sourced from PubChem (CID 68558078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).