2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-7-hydroxychromene-3-carboxamide

C18H14N2O5 — CID 135631696

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-7-hydroxychromene-3-carboxamide
SMILESNC(=O)c1cc2ccc(O)cc2o/c1=N\c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H14N2O5/c19-17(22)13-7-10-1-3-12(21)9-15(10)25-18(13)20-11-2-4-14-16(8-11)24-6-5-23-14/h1-4,7-9,21H,5-6H2,(H2,19,22)/b20-18-
InChIKeyBZTZEEIYSRBVFZ-ZZEZOPTASA-N
MW338.32 g/mol
LogP2.24
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-7-hydroxychromene-3-carboxamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-7-hydroxychromene-3-carboxamide (PubChem CID 135631696) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-7-hydroxychromene-3-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-7-hydroxychromene-3-carboxamide
PubChem CID135631696
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-7-hydroxychromene-3-carboxamide
SMILESNC(=O)c1cc2ccc(O)cc2o/c1=N\c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H14N2O5/c19-17(22)13-7-10-1-3-12(21)9-15(10)25-18(13)20-11-2-4-14-16(8-11)24-6-5-23-14/h1-4,7-9,21H,5-6H2,(H2,19,22)/b20-18-
InChIKeyBZTZEEIYSRBVFZ-ZZEZOPTASA-N
XLogP2.24
TPSA107.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethylphenyl)imino-7-hydroxychromene-3-carboxamide
CID 135631684
methyl 3-[(3-carbamoyl-7-hydroxychromen-2-ylidene)amino]benzoate
CID 135631698
(2Z)-2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxychromene-3-carboxamide
CID 135666077
4-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yldiazenyl)phenol
CID 135528685
7-(diethylamino)-2-(4-phenoxyphenyl)iminochromene-3-carboxamide
CID 997823
7-hydroxy-N-(oxolan-2-ylmethyl)-2-phenyliminochromene-3-carboxamide
CID 135631732
acetic acid;2,3-dihydro-1,4-benzodioxin-6-ol
CID 71404632
2-(3-fluorophenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 135631749
2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 136777862
2-(4-chlorophenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631616
2-(4-bromophenyl)imino-6-chlorochromene-3-carboxamide
CID 1212130
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol
CID 13273773

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-7-hydroxychromene-3-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-7-hydroxychromene-3-carboxamide (CID 135631696) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-7-hydroxychromene-3-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-7-hydroxychromene-3-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-7-hydroxychromene-3-carboxamide is NC(=O)c1cc2ccc(O)cc2o/c1=N\c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-7-hydroxychromene-3-carboxamide?
The InChIKey is BZTZEEIYSRBVFZ-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H14N2O5/c19-17(22)13-7-10-1-3-12(21)9-15(10)25-18(13)20-11-2-4-14-16(8-11)24-6-5-23-14/h1-4,7-9,21H,5-6H2,(H2,19,22)/b20-18-.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-7-hydroxychromene-3-carboxamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-7-hydroxychromene-3-carboxamide has a molecular weight of 338.32 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-7-hydroxychromene-3-carboxamide is sourced from PubChem (CID 135631696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).