7-chloro-3-[2-oxo-2-[6-(1,2,4-triazin-6-yloxy)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide

C24H16ClN5O4 — CID 145117902

IUPAC7-chloro-3-[2-oxo-2-[6-(1,2,4-triazin-6-yloxy)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide
SMILESNC(=O)c1cc2cc(Cl)ccc2cc1OCC(=O)c1c[nH]c2cc(Oc3cncnn3)ccc12
InChIInChI=1S/C24H16ClN5O4/c25-15-2-1-13-7-22(18(24(26)32)6-14(13)5-15)33-11-21(31)19-9-28-20-8-16(3-4-17(19)20)34-23-10-27-12-29-30-23/h1-10,12,28H,11H2,(H2,26,32)
InChIKeyAVFFZNLTKAMUHE-UHFFFAOYSA-N
MW473.88 g/mol
LogP4.31
Rot. Bonds7

About 7-chloro-3-[2-oxo-2-[6-(1,2,4-triazin-6-yloxy)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide

7-chloro-3-[2-oxo-2-[6-(1,2,4-triazin-6-yloxy)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide (PubChem CID 145117902) has the molecular formula C24H16ClN5O4 and a molecular weight of 473.88 g/mol. Its IUPAC name is 7-chloro-3-[2-oxo-2-[6-(1,2,4-triazin-6-yloxy)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-[2-oxo-2-[6-(1,2,4-triazin-6-yloxy)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide
PubChem CID145117902
Molecular FormulaC24H16ClN5O4
Molecular Weight473.88 g/mol
Exact Mass473.09
IUPAC Name7-chloro-3-[2-oxo-2-[6-(1,2,4-triazin-6-yloxy)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide
SMILESNC(=O)c1cc2cc(Cl)ccc2cc1OCC(=O)c1c[nH]c2cc(Oc3cncnn3)ccc12
InChIInChI=1S/C24H16ClN5O4/c25-15-2-1-13-7-22(18(24(26)32)6-14(13)5-15)33-11-21(31)19-9-28-20-8-16(3-4-17(19)20)34-23-10-27-12-29-30-23/h1-10,12,28H,11H2,(H2,26,32)
InChIKeyAVFFZNLTKAMUHE-UHFFFAOYSA-N
XLogP4.31
TPSA133.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.88
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-(6-ethenyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473532
7-chloro-3-[2-oxo-2-[6-(pyridin-2-ylmethyl)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide
CID 121473348
2-[3-(1-aminoethenyl)-6-chloronaphthalen-2-yl]oxy-1-[6-[(2-methyl-3-pyridinyl)oxy]-1H-indol-3-yl]ethanone
CID 145117875
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-3-[2-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121475368
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
7-chloro-3-[2-oxo-2-(6-propan-2-yl-1-propylindol-3-yl)ethoxy]naphthalene-2-carboxamide
CID 145117768
7-chloro-1-methyl-3-[3-oxo-3-(6-pyridin-3-yloxy-1H-indol-3-yl)propyl]naphthalene-2-carboxylic acid
CID 121473693
7-chloro-3-[2-[6-cyclopropyl-1-[(2R)-2-hydroxy-3-(2-hydroxyethylamino)-3-oxopropyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473736

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[2-oxo-2-[6-(1,2,4-triazin-6-yloxy)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide?
The IUPAC name of 7-chloro-3-[2-oxo-2-[6-(1,2,4-triazin-6-yloxy)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide (CID 145117902) is 7-chloro-3-[2-oxo-2-[6-(1,2,4-triazin-6-yloxy)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide.
What is the SMILES notation for 7-chloro-3-[2-oxo-2-[6-(1,2,4-triazin-6-yloxy)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide?
The canonical SMILES for 7-chloro-3-[2-oxo-2-[6-(1,2,4-triazin-6-yloxy)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide is NC(=O)c1cc2cc(Cl)ccc2cc1OCC(=O)c1c[nH]c2cc(Oc3cncnn3)ccc12.
What is the InChIKey of 7-chloro-3-[2-oxo-2-[6-(1,2,4-triazin-6-yloxy)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide?
The InChIKey is AVFFZNLTKAMUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN5O4/c25-15-2-1-13-7-22(18(24(26)32)6-14(13)5-15)33-11-21(31)19-9-28-20-8-16(3-4-17(19)20)34-23-10-27-12-29-30-23/h1-10,12,28H,11H2,(H2,26,32).
What are the key properties of 7-chloro-3-[2-oxo-2-[6-(1,2,4-triazin-6-yloxy)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide?
7-chloro-3-[2-oxo-2-[6-(1,2,4-triazin-6-yloxy)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide has a molecular weight of 473.88 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[2-oxo-2-[6-(1,2,4-triazin-6-yloxy)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 145117902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).