7-chloro-3-[2-oxo-2-[6-(pyridin-2-ylmethyl)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide

C27H20ClN3O3 — CID 121473348

IUPAC7-chloro-3-[2-oxo-2-[6-(pyridin-2-ylmethyl)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide
SMILESNC(=O)c1cc2cc(Cl)ccc2cc1OCC(=O)c1c[nH]c2cc(Cc3ccccn3)ccc12
InChIInChI=1S/C27H20ClN3O3/c28-19-6-5-17-13-26(22(27(29)33)12-18(17)11-19)34-15-25(32)23-14-31-24-10-16(4-7-21(23)24)9-20-3-1-2-8-30-20/h1-8,10-14,31H,9,15H2,(H2,29,33)
InChIKeyBWMFMTBOVBMRAN-UHFFFAOYSA-N
MW469.93 g/mol
LogP5.32
Rot. Bonds7

About 7-chloro-3-[2-oxo-2-[6-(pyridin-2-ylmethyl)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide

7-chloro-3-[2-oxo-2-[6-(pyridin-2-ylmethyl)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide (PubChem CID 121473348) has the molecular formula C27H20ClN3O3 and a molecular weight of 469.93 g/mol. Its IUPAC name is 7-chloro-3-[2-oxo-2-[6-(pyridin-2-ylmethyl)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-[2-oxo-2-[6-(pyridin-2-ylmethyl)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide
PubChem CID121473348
Molecular FormulaC27H20ClN3O3
Molecular Weight469.93 g/mol
Exact Mass469.12
IUPAC Name7-chloro-3-[2-oxo-2-[6-(pyridin-2-ylmethyl)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide
SMILESNC(=O)c1cc2cc(Cl)ccc2cc1OCC(=O)c1c[nH]c2cc(Cc3ccccn3)ccc12
InChIInChI=1S/C27H20ClN3O3/c28-19-6-5-17-13-26(22(27(29)33)12-18(17)11-19)34-15-25(32)23-14-31-24-10-16(4-7-21(23)24)9-20-3-1-2-8-30-20/h1-8,10-14,31H,9,15H2,(H2,29,33)
InChIKeyBWMFMTBOVBMRAN-UHFFFAOYSA-N
XLogP5.32
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.93
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
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
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-3-[2-[6-cyclopropyl-1-[(2R)-2-hydroxy-3-(2-hydroxyethylamino)-3-oxopropyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473736
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 3496931
7-chloro-3-[2-[6-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473456
7-chloro-3-[2-[1-[2-(dimethylamino)ethyl]-6-fluoroindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473606
[4-(pyridin-2-ylmethyl)phenyl] carbamate
CID 174850668

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[2-oxo-2-[6-(pyridin-2-ylmethyl)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide?
The IUPAC name of 7-chloro-3-[2-oxo-2-[6-(pyridin-2-ylmethyl)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide (CID 121473348) is 7-chloro-3-[2-oxo-2-[6-(pyridin-2-ylmethyl)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide.
What is the SMILES notation for 7-chloro-3-[2-oxo-2-[6-(pyridin-2-ylmethyl)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide?
The canonical SMILES for 7-chloro-3-[2-oxo-2-[6-(pyridin-2-ylmethyl)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide is NC(=O)c1cc2cc(Cl)ccc2cc1OCC(=O)c1c[nH]c2cc(Cc3ccccn3)ccc12.
What is the InChIKey of 7-chloro-3-[2-oxo-2-[6-(pyridin-2-ylmethyl)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide?
The InChIKey is BWMFMTBOVBMRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN3O3/c28-19-6-5-17-13-26(22(27(29)33)12-18(17)11-19)34-15-25(32)23-14-31-24-10-16(4-7-21(23)24)9-20-3-1-2-8-30-20/h1-8,10-14,31H,9,15H2,(H2,29,33).
What are the key properties of 7-chloro-3-[2-oxo-2-[6-(pyridin-2-ylmethyl)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide?
7-chloro-3-[2-oxo-2-[6-(pyridin-2-ylmethyl)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide has a molecular weight of 469.93 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[2-oxo-2-[6-(pyridin-2-ylmethyl)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 121473348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).