2-(7-hydroxy-2-oxochromen-4-yl)-N'-[2-(4-hydroxy-2-oxochromen-3-yl)-2-oxoethyl]acetohydrazide

C22H16N2O8 — CID 91289685

IUPAC2-(7-hydroxy-2-oxochromen-4-yl)-N'-[2-(4-hydroxy-2-oxochromen-3-yl)-2-oxoethyl]acetohydrazide
SMILESO=C(Cc1cc(=O)oc2cc(O)ccc12)NNCC(=O)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C22H16N2O8/c25-12-5-6-13-11(8-19(28)31-17(13)9-12)7-18(27)24-23-10-15(26)20-21(29)14-3-1-2-4-16(14)32-22(20)30/h1-6,8-9,23,25,29H,7,10H2,(H,24,27)
InChIKeyQIEFBJCRQHFAFE-UHFFFAOYSA-N
MW436.38 g/mol
LogP1.36
Rot. Bonds6

About 2-(7-hydroxy-2-oxochromen-4-yl)-N'-[2-(4-hydroxy-2-oxochromen-3-yl)-2-oxoethyl]acetohydrazide

2-(7-hydroxy-2-oxochromen-4-yl)-N'-[2-(4-hydroxy-2-oxochromen-3-yl)-2-oxoethyl]acetohydrazide (PubChem CID 91289685) has the molecular formula C22H16N2O8 and a molecular weight of 436.38 g/mol. Its IUPAC name is 2-(7-hydroxy-2-oxochromen-4-yl)-N'-[2-(4-hydroxy-2-oxochromen-3-yl)-2-oxoethyl]acetohydrazide.

Molecular Properties

Compound Name2-(7-hydroxy-2-oxochromen-4-yl)-N'-[2-(4-hydroxy-2-oxochromen-3-yl)-2-oxoethyl]acetohydrazide
PubChem CID91289685
Molecular FormulaC22H16N2O8
Molecular Weight436.38 g/mol
Exact Mass436.09
IUPAC Name2-(7-hydroxy-2-oxochromen-4-yl)-N'-[2-(4-hydroxy-2-oxochromen-3-yl)-2-oxoethyl]acetohydrazide
SMILESO=C(Cc1cc(=O)oc2cc(O)ccc12)NNCC(=O)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C22H16N2O8/c25-12-5-6-13-11(8-19(28)31-17(13)9-12)7-18(27)24-23-10-15(26)20-21(29)14-3-1-2-4-16(14)32-22(20)30/h1-6,8-9,23,25,29H,7,10H2,(H,24,27)
InChIKeyQIEFBJCRQHFAFE-UHFFFAOYSA-N
XLogP1.36
TPSA159.08 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-(7-hydroxy-2-oxochromen-4-yl)-N'-[2-(4-hydroxy-2-oxochromen-3-yl)-2-oxoethyl]acetohydrazide with MolForge

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Related Compounds

3-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]propanoate
CID 6954108
methyl 2-(7-hydroxy-2-oxochromen-4-yl)acetate
CID 5395514
2-(4,7-dihydroxy-2-oxochromen-3-yl)-2-oxoacetamide
CID 54695489
5-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]pentylcarbamic acid
CID 87148125
4,7-dihydroxy-2-oxochromene-3-carboxamide
CID 54698717
methyl N-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]carbamate
CID 59445812
4-(bromomethyl)-7-hydroxychromen-2-one
CID 5465897
3-[(7-hydroxy-2-oxochromen-4-yl)methylamino]propanoic acid
CID 43466420
methyl 5-(7-hydroxy-2-oxochromen-4-yl)-4-oxopentanoate
CID 158000063
(2S)-2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]hexanoic acid
CID 6351511
tert-butyl N-[2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]ethyl]carbamate
CID 86625974
3-benzyl-4,7-dihydroxychromen-2-one
CID 54682330

Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxy-2-oxochromen-4-yl)-N'-[2-(4-hydroxy-2-oxochromen-3-yl)-2-oxoethyl]acetohydrazide?
The IUPAC name of 2-(7-hydroxy-2-oxochromen-4-yl)-N'-[2-(4-hydroxy-2-oxochromen-3-yl)-2-oxoethyl]acetohydrazide (CID 91289685) is 2-(7-hydroxy-2-oxochromen-4-yl)-N'-[2-(4-hydroxy-2-oxochromen-3-yl)-2-oxoethyl]acetohydrazide.
What is the SMILES notation for 2-(7-hydroxy-2-oxochromen-4-yl)-N'-[2-(4-hydroxy-2-oxochromen-3-yl)-2-oxoethyl]acetohydrazide?
The canonical SMILES for 2-(7-hydroxy-2-oxochromen-4-yl)-N'-[2-(4-hydroxy-2-oxochromen-3-yl)-2-oxoethyl]acetohydrazide is O=C(Cc1cc(=O)oc2cc(O)ccc12)NNCC(=O)c1c(O)c2ccccc2oc1=O.
What is the InChIKey of 2-(7-hydroxy-2-oxochromen-4-yl)-N'-[2-(4-hydroxy-2-oxochromen-3-yl)-2-oxoethyl]acetohydrazide?
The InChIKey is QIEFBJCRQHFAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O8/c25-12-5-6-13-11(8-19(28)31-17(13)9-12)7-18(27)24-23-10-15(26)20-21(29)14-3-1-2-4-16(14)32-22(20)30/h1-6,8-9,23,25,29H,7,10H2,(H,24,27).
What are the key properties of 2-(7-hydroxy-2-oxochromen-4-yl)-N'-[2-(4-hydroxy-2-oxochromen-3-yl)-2-oxoethyl]acetohydrazide?
2-(7-hydroxy-2-oxochromen-4-yl)-N'-[2-(4-hydroxy-2-oxochromen-3-yl)-2-oxoethyl]acetohydrazide has a molecular weight of 436.38 g/mol, XLogP of 1.36, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxy-2-oxochromen-4-yl)-N'-[2-(4-hydroxy-2-oxochromen-3-yl)-2-oxoethyl]acetohydrazide is sourced from PubChem (CID 91289685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).