7-methoxy-N'-(7H-purin-6-yl)-3,4-dihydro-2H-chromene-3-carbohydrazide

C16H16N6O3 — CID 56806649

IUPAC7-methoxy-N'-(7H-purin-6-yl)-3,4-dihydro-2H-chromene-3-carbohydrazide
SMILESCOc1ccc2c(c1)OCC(C(=O)NNc1ncnc3nc[nH]c13)C2
InChIInChI=1S/C16H16N6O3/c1-24-11-3-2-9-4-10(6-25-12(9)5-11)16(23)22-21-15-13-14(18-7-17-13)19-8-20-15/h2-3,5,7-8,10H,4,6H2,1H3,(H,22,23)(H2,17,18,19,20,21)
InChIKeyAMIKDLVTNGJARZ-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.06
Rot. Bonds4

About 7-methoxy-N'-(7H-purin-6-yl)-3,4-dihydro-2H-chromene-3-carbohydrazide

7-methoxy-N'-(7H-purin-6-yl)-3,4-dihydro-2H-chromene-3-carbohydrazide (PubChem CID 56806649) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is 7-methoxy-N'-(7H-purin-6-yl)-3,4-dihydro-2H-chromene-3-carbohydrazide.

Molecular Properties

Compound Name7-methoxy-N'-(7H-purin-6-yl)-3,4-dihydro-2H-chromene-3-carbohydrazide
PubChem CID56806649
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC Name7-methoxy-N'-(7H-purin-6-yl)-3,4-dihydro-2H-chromene-3-carbohydrazide
SMILESCOc1ccc2c(c1)OCC(C(=O)NNc1ncnc3nc[nH]c13)C2
InChIInChI=1S/C16H16N6O3/c1-24-11-3-2-9-4-10(6-25-12(9)5-11)16(23)22-21-15-13-14(18-7-17-13)19-8-20-15/h2-3,5,7-8,10H,4,6H2,1H3,(H,22,23)(H2,17,18,19,20,21)
InChIKeyAMIKDLVTNGJARZ-UHFFFAOYSA-N
XLogP1.06
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N'-(7H-purin-6-yl)-3,4-dihydro-2H-chromene-3-carbohydrazide?
The IUPAC name of 7-methoxy-N'-(7H-purin-6-yl)-3,4-dihydro-2H-chromene-3-carbohydrazide (CID 56806649) is 7-methoxy-N'-(7H-purin-6-yl)-3,4-dihydro-2H-chromene-3-carbohydrazide.
What is the SMILES notation for 7-methoxy-N'-(7H-purin-6-yl)-3,4-dihydro-2H-chromene-3-carbohydrazide?
The canonical SMILES for 7-methoxy-N'-(7H-purin-6-yl)-3,4-dihydro-2H-chromene-3-carbohydrazide is COc1ccc2c(c1)OCC(C(=O)NNc1ncnc3nc[nH]c13)C2.
What is the InChIKey of 7-methoxy-N'-(7H-purin-6-yl)-3,4-dihydro-2H-chromene-3-carbohydrazide?
The InChIKey is AMIKDLVTNGJARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c1-24-11-3-2-9-4-10(6-25-12(9)5-11)16(23)22-21-15-13-14(18-7-17-13)19-8-20-15/h2-3,5,7-8,10H,4,6H2,1H3,(H,22,23)(H2,17,18,19,20,21).
What are the key properties of 7-methoxy-N'-(7H-purin-6-yl)-3,4-dihydro-2H-chromene-3-carbohydrazide?
7-methoxy-N'-(7H-purin-6-yl)-3,4-dihydro-2H-chromene-3-carbohydrazide has a molecular weight of 340.34 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N'-(7H-purin-6-yl)-3,4-dihydro-2H-chromene-3-carbohydrazide is sourced from PubChem (CID 56806649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).