2-[3-(1-aminoethenyl)-6-chloronaphthalen-2-yl]oxy-1-[6-[(2-methyl-3-pyridinyl)oxy]-1H-indol-3-yl]ethanone

C28H22ClN3O3 — CID 145117875

IUPAC2-[3-(1-aminoethenyl)-6-chloronaphthalen-2-yl]oxy-1-[6-[(2-methyl-3-pyridinyl)oxy]-1H-indol-3-yl]ethanone
SMILESC=C(N)c1cc2cc(Cl)ccc2cc1OCC(=O)c1c[nH]c2cc(Oc3cccnc3C)ccc12
InChIInChI=1S/C28H22ClN3O3/c1-16(30)23-11-19-10-20(29)6-5-18(19)12-28(23)34-15-26(33)24-14-32-25-13-21(7-8-22(24)25)35-27-4-3-9-31-17(27)2/h3-14,32H,1,15,30H2,2H3
InChIKeySIXDWOVNFSEVLA-UHFFFAOYSA-N
MW483.96 g/mol
LogP6.66
Rot. Bonds7

About 2-[3-(1-aminoethenyl)-6-chloronaphthalen-2-yl]oxy-1-[6-[(2-methyl-3-pyridinyl)oxy]-1H-indol-3-yl]ethanone

2-[3-(1-aminoethenyl)-6-chloronaphthalen-2-yl]oxy-1-[6-[(2-methyl-3-pyridinyl)oxy]-1H-indol-3-yl]ethanone (PubChem CID 145117875) has the molecular formula C28H22ClN3O3 and a molecular weight of 483.96 g/mol. Its IUPAC name is 2-[3-(1-aminoethenyl)-6-chloronaphthalen-2-yl]oxy-1-[6-[(2-methyl-3-pyridinyl)oxy]-1H-indol-3-yl]ethanone.

Molecular Properties

Compound Name2-[3-(1-aminoethenyl)-6-chloronaphthalen-2-yl]oxy-1-[6-[(2-methyl-3-pyridinyl)oxy]-1H-indol-3-yl]ethanone
PubChem CID145117875
Molecular FormulaC28H22ClN3O3
Molecular Weight483.96 g/mol
Exact Mass483.13
IUPAC Name2-[3-(1-aminoethenyl)-6-chloronaphthalen-2-yl]oxy-1-[6-[(2-methyl-3-pyridinyl)oxy]-1H-indol-3-yl]ethanone
SMILESC=C(N)c1cc2cc(Cl)ccc2cc1OCC(=O)c1c[nH]c2cc(Oc3cccnc3C)ccc12
InChIInChI=1S/C28H22ClN3O3/c1-16(30)23-11-19-10-20(29)6-5-18(19)12-28(23)34-15-26(33)24-14-32-25-13-21(7-8-22(24)25)35-27-4-3-9-31-17(27)2/h3-14,32H,1,15,30H2,2H3
InChIKeySIXDWOVNFSEVLA-UHFFFAOYSA-N
XLogP6.66
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.96
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-3-[2-(6-chloro-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473674
7-chloro-3-[2-oxo-2-[6-(1,2,4-triazin-6-yloxy)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide
CID 145117902
7-chloro-3-[2-oxo-2-[6-(pyridin-2-ylmethyl)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide
CID 121473348
7-chloro-3-[2-(6-ethenyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473532
7-chloro-3-[2-(6-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473662
7-chloro-3-[2-[1-[2-(methylamino)-2-oxoethyl]-6-pyridin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121475015
7-chloro-1-methyl-3-[3-oxo-3-(6-pyridin-3-yloxy-1H-indol-3-yl)propyl]naphthalene-2-carboxylic acid
CID 121473693
5-chloro-1-[2-oxo-2-(6-pyridin-3-yloxy-1H-indol-3-yl)ethyl]-2H-indazol-3-one
CID 118950956
7-chloro-3-[2-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121475368
2-(6-chloroimidazo[4,5-b]pyridin-1-yl)-1-(6-pyridin-3-yloxy-1H-indol-3-yl)ethanone
CID 118950906
7-chloro-3-[2-[1-[2-[(3R,4S)-3,4-dihydroxy-2-oxopyrrolidin-1-yl]ethyl]-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473715
6-chloro-1H-indole-3-carboxamide
CID 130666489

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethenyl)-6-chloronaphthalen-2-yl]oxy-1-[6-[(2-methyl-3-pyridinyl)oxy]-1H-indol-3-yl]ethanone?
The IUPAC name of 2-[3-(1-aminoethenyl)-6-chloronaphthalen-2-yl]oxy-1-[6-[(2-methyl-3-pyridinyl)oxy]-1H-indol-3-yl]ethanone (CID 145117875) is 2-[3-(1-aminoethenyl)-6-chloronaphthalen-2-yl]oxy-1-[6-[(2-methyl-3-pyridinyl)oxy]-1H-indol-3-yl]ethanone.
What is the SMILES notation for 2-[3-(1-aminoethenyl)-6-chloronaphthalen-2-yl]oxy-1-[6-[(2-methyl-3-pyridinyl)oxy]-1H-indol-3-yl]ethanone?
The canonical SMILES for 2-[3-(1-aminoethenyl)-6-chloronaphthalen-2-yl]oxy-1-[6-[(2-methyl-3-pyridinyl)oxy]-1H-indol-3-yl]ethanone is C=C(N)c1cc2cc(Cl)ccc2cc1OCC(=O)c1c[nH]c2cc(Oc3cccnc3C)ccc12.
What is the InChIKey of 2-[3-(1-aminoethenyl)-6-chloronaphthalen-2-yl]oxy-1-[6-[(2-methyl-3-pyridinyl)oxy]-1H-indol-3-yl]ethanone?
The InChIKey is SIXDWOVNFSEVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClN3O3/c1-16(30)23-11-19-10-20(29)6-5-18(19)12-28(23)34-15-26(33)24-14-32-25-13-21(7-8-22(24)25)35-27-4-3-9-31-17(27)2/h3-14,32H,1,15,30H2,2H3.
What are the key properties of 2-[3-(1-aminoethenyl)-6-chloronaphthalen-2-yl]oxy-1-[6-[(2-methyl-3-pyridinyl)oxy]-1H-indol-3-yl]ethanone?
2-[3-(1-aminoethenyl)-6-chloronaphthalen-2-yl]oxy-1-[6-[(2-methyl-3-pyridinyl)oxy]-1H-indol-3-yl]ethanone has a molecular weight of 483.96 g/mol, XLogP of 6.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethenyl)-6-chloronaphthalen-2-yl]oxy-1-[6-[(2-methyl-3-pyridinyl)oxy]-1H-indol-3-yl]ethanone is sourced from PubChem (CID 145117875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).