3-chloro-N-(4-chloro-2-pyridinyl)-8-methoxy-10-oxo-9H-anthracene-1-carboxamide

C21H14Cl2N2O3 — CID 71593682

IUPAC3-chloro-N-(4-chloro-2-pyridinyl)-8-methoxy-10-oxo-9H-anthracene-1-carboxamide
SMILESCOc1cccc2c1Cc1c(C(=O)Nc3cc(Cl)ccn3)cc(Cl)cc1C2=O
InChIInChI=1S/C21H14Cl2N2O3/c1-28-18-4-2-3-13-15(18)10-14-16(20(13)26)7-12(23)8-17(14)21(27)25-19-9-11(22)5-6-24-19/h2-9H,10H2,1H3,(H,24,25,27)
InChIKeySSWLDRMPPBGFLD-UHFFFAOYSA-N
MW413.26 g/mol
LogP4.78
Rot. Bonds3

About 3-chloro-N-(4-chloro-2-pyridinyl)-8-methoxy-10-oxo-9H-anthracene-1-carboxamide

3-chloro-N-(4-chloro-2-pyridinyl)-8-methoxy-10-oxo-9H-anthracene-1-carboxamide (PubChem CID 71593682) has the molecular formula C21H14Cl2N2O3 and a molecular weight of 413.26 g/mol. Its IUPAC name is 3-chloro-N-(4-chloro-2-pyridinyl)-8-methoxy-10-oxo-9H-anthracene-1-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(4-chloro-2-pyridinyl)-8-methoxy-10-oxo-9H-anthracene-1-carboxamide
PubChem CID71593682
Molecular FormulaC21H14Cl2N2O3
Molecular Weight413.26 g/mol
Exact Mass412.04
IUPAC Name3-chloro-N-(4-chloro-2-pyridinyl)-8-methoxy-10-oxo-9H-anthracene-1-carboxamide
SMILESCOc1cccc2c1Cc1c(C(=O)Nc3cc(Cl)ccn3)cc(Cl)cc1C2=O
InChIInChI=1S/C21H14Cl2N2O3/c1-28-18-4-2-3-13-15(18)10-14-16(20(13)26)7-12(23)8-17(14)21(27)25-19-9-11(22)5-6-24-19/h2-9H,10H2,1H3,(H,24,25,27)
InChIKeySSWLDRMPPBGFLD-UHFFFAOYSA-N
XLogP4.78
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.26
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 16391032
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N-(4-chlorophenyl)-6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide
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CID 44414540
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CID 162653545
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CID 738270
2-chloro-5-methoxy-9-oxo-N-(2-pyridyl)-10H-acridine-4-carboxamide
CID 46202554
N-[5-[(2-acetamidoethylamino)methyl]-2-pyridinyl]-2-chloro-3-(3-methoxyphenyl)benzamide
CID 166630297
N-[5-[(2-acetamidoethylamino)methyl]-2-pyridinyl]-2-chloro-3-(2-methoxyphenyl)benzamide
CID 166636579
N-(5-chloropyridin-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 738260
2-chloro-N-(4-chloro-2-pyridyl)-5-methoxy-9-oxo-10H-acridine-4-carboxamide
CID 46202556
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CID 46202553

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-chloro-2-pyridinyl)-8-methoxy-10-oxo-9H-anthracene-1-carboxamide?
The IUPAC name of 3-chloro-N-(4-chloro-2-pyridinyl)-8-methoxy-10-oxo-9H-anthracene-1-carboxamide (CID 71593682) is 3-chloro-N-(4-chloro-2-pyridinyl)-8-methoxy-10-oxo-9H-anthracene-1-carboxamide.
What is the SMILES notation for 3-chloro-N-(4-chloro-2-pyridinyl)-8-methoxy-10-oxo-9H-anthracene-1-carboxamide?
The canonical SMILES for 3-chloro-N-(4-chloro-2-pyridinyl)-8-methoxy-10-oxo-9H-anthracene-1-carboxamide is COc1cccc2c1Cc1c(C(=O)Nc3cc(Cl)ccn3)cc(Cl)cc1C2=O.
What is the InChIKey of 3-chloro-N-(4-chloro-2-pyridinyl)-8-methoxy-10-oxo-9H-anthracene-1-carboxamide?
The InChIKey is SSWLDRMPPBGFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O3/c1-28-18-4-2-3-13-15(18)10-14-16(20(13)26)7-12(23)8-17(14)21(27)25-19-9-11(22)5-6-24-19/h2-9H,10H2,1H3,(H,24,25,27).
What are the key properties of 3-chloro-N-(4-chloro-2-pyridinyl)-8-methoxy-10-oxo-9H-anthracene-1-carboxamide?
3-chloro-N-(4-chloro-2-pyridinyl)-8-methoxy-10-oxo-9H-anthracene-1-carboxamide has a molecular weight of 413.26 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-chloro-2-pyridinyl)-8-methoxy-10-oxo-9H-anthracene-1-carboxamide is sourced from PubChem (CID 71593682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).