7-[[6-amino-4-(3,5-dichloroanilino)-2-pyridinyl]oxy]-4-hydroxychromen-2-one

C20H13Cl2N3O4 — CID 101064405

IUPAC7-[[6-amino-4-(3,5-dichloroanilino)-2-pyridinyl]oxy]-4-hydroxychromen-2-one
SMILESNc1cc(Nc2cc(Cl)cc(Cl)c2)cc(Oc2ccc3c(O)cc(=O)oc3c2)n1
InChIInChI=1S/C20H13Cl2N3O4/c21-10-3-11(22)5-12(4-10)24-13-6-18(23)25-19(7-13)28-14-1-2-15-16(26)9-20(27)29-17(15)8-14/h1-9,26H,(H3,23,24,25)
InChIKeyJWOVGACYQFUYTA-UHFFFAOYSA-N
MW430.25 g/mol
LogP5.32
Rot. Bonds4

About 7-[[6-amino-4-(3,5-dichloroanilino)-2-pyridinyl]oxy]-4-hydroxychromen-2-one

7-[[6-amino-4-(3,5-dichloroanilino)-2-pyridinyl]oxy]-4-hydroxychromen-2-one (PubChem CID 101064405) has the molecular formula C20H13Cl2N3O4 and a molecular weight of 430.25 g/mol. Its IUPAC name is 7-[[6-amino-4-(3,5-dichloroanilino)-2-pyridinyl]oxy]-4-hydroxychromen-2-one.

Molecular Properties

Compound Name7-[[6-amino-4-(3,5-dichloroanilino)-2-pyridinyl]oxy]-4-hydroxychromen-2-one
PubChem CID101064405
Molecular FormulaC20H13Cl2N3O4
Molecular Weight430.25 g/mol
Exact Mass429.03
IUPAC Name7-[[6-amino-4-(3,5-dichloroanilino)-2-pyridinyl]oxy]-4-hydroxychromen-2-one
SMILESNc1cc(Nc2cc(Cl)cc(Cl)c2)cc(Oc2ccc3c(O)cc(=O)oc3c2)n1
InChIInChI=1S/C20H13Cl2N3O4/c21-10-3-11(22)5-12(4-10)24-13-6-18(23)25-19(7-13)28-14-1-2-15-16(26)9-20(27)29-17(15)8-14/h1-9,26H,(H3,23,24,25)
InChIKeyJWOVGACYQFUYTA-UHFFFAOYSA-N
XLogP5.32
TPSA110.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.25
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-(6-amino-2-methylpyrimidin-4-yl)oxy-4-methylchromen-2-one
CID 80866814
7-[4-amino-1-(3,5-dichlorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]oxy-4-hydroxychromen-2-one
CID 54726275
7-(6-chloro-2-methylpyrimidin-4-yl)oxy-4-propylchromen-2-one
CID 133280797
4-hydroxy-7-(methylamino)chromen-2-one
CID 54690209
6,7-dichloro-4-hydroxychromen-2-one
CID 54738246
4-methyl-7-[6-(methylamino)pyrazin-2-yl]oxychromen-2-one
CID 80866622
4-amino-7-hydroxychromen-2-one
CID 5403605
7-[(6-bromo-2-pyridinyl)oxy]-4-methylchromen-2-one
CID 63963411
7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-4-hydroxychromen-2-one
CID 54710800
6-(4-methyl-2-oxochromen-7-yl)oxypyridine-2-carbonitrile
CID 64594177
4-amino-7-butoxychromen-2-one
CID 175494716
7-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-4-methylchromen-2-one
CID 60727066

Frequently Asked Questions

What is the IUPAC name of 7-[[6-amino-4-(3,5-dichloroanilino)-2-pyridinyl]oxy]-4-hydroxychromen-2-one?
The IUPAC name of 7-[[6-amino-4-(3,5-dichloroanilino)-2-pyridinyl]oxy]-4-hydroxychromen-2-one (CID 101064405) is 7-[[6-amino-4-(3,5-dichloroanilino)-2-pyridinyl]oxy]-4-hydroxychromen-2-one.
What is the SMILES notation for 7-[[6-amino-4-(3,5-dichloroanilino)-2-pyridinyl]oxy]-4-hydroxychromen-2-one?
The canonical SMILES for 7-[[6-amino-4-(3,5-dichloroanilino)-2-pyridinyl]oxy]-4-hydroxychromen-2-one is Nc1cc(Nc2cc(Cl)cc(Cl)c2)cc(Oc2ccc3c(O)cc(=O)oc3c2)n1.
What is the InChIKey of 7-[[6-amino-4-(3,5-dichloroanilino)-2-pyridinyl]oxy]-4-hydroxychromen-2-one?
The InChIKey is JWOVGACYQFUYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O4/c21-10-3-11(22)5-12(4-10)24-13-6-18(23)25-19(7-13)28-14-1-2-15-16(26)9-20(27)29-17(15)8-14/h1-9,26H,(H3,23,24,25).
What are the key properties of 7-[[6-amino-4-(3,5-dichloroanilino)-2-pyridinyl]oxy]-4-hydroxychromen-2-one?
7-[[6-amino-4-(3,5-dichloroanilino)-2-pyridinyl]oxy]-4-hydroxychromen-2-one has a molecular weight of 430.25 g/mol, XLogP of 5.32, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-amino-4-(3,5-dichloroanilino)-2-pyridinyl]oxy]-4-hydroxychromen-2-one is sourced from PubChem (CID 101064405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).