3-methoxy-N'-(6,7,8-trimethoxyquinazolin-4-yl)propanehydrazide

C15H20N4O5 — CID 110435791

IUPAC3-methoxy-N'-(6,7,8-trimethoxyquinazolin-4-yl)propanehydrazide
SMILESCOCCC(=O)NNc1ncnc2c(OC)c(OC)c(OC)cc12
InChIInChI=1S/C15H20N4O5/c1-21-6-5-11(20)18-19-15-9-7-10(22-2)13(23-3)14(24-4)12(9)16-8-17-15/h7-8H,5-6H2,1-4H3,(H,18,20)(H,16,17,19)
InChIKeyXZAHXAHTSZAHKU-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.14
Rot. Bonds8

About 3-methoxy-N'-(6,7,8-trimethoxyquinazolin-4-yl)propanehydrazide

3-methoxy-N'-(6,7,8-trimethoxyquinazolin-4-yl)propanehydrazide (PubChem CID 110435791) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is 3-methoxy-N'-(6,7,8-trimethoxyquinazolin-4-yl)propanehydrazide.

Molecular Properties

Compound Name3-methoxy-N'-(6,7,8-trimethoxyquinazolin-4-yl)propanehydrazide
PubChem CID110435791
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC Name3-methoxy-N'-(6,7,8-trimethoxyquinazolin-4-yl)propanehydrazide
SMILESCOCCC(=O)NNc1ncnc2c(OC)c(OC)c(OC)cc12
InChIInChI=1S/C15H20N4O5/c1-21-6-5-11(20)18-19-15-9-7-10(22-2)13(23-3)14(24-4)12(9)16-8-17-15/h7-8H,5-6H2,1-4H3,(H,18,20)(H,16,17,19)
InChIKeyXZAHXAHTSZAHKU-UHFFFAOYSA-N
XLogP1.14
TPSA103.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentanoic acid
CID 19605807
N-benzyl-6,7,8-trimethoxyquinazolin-4-amine
CID 18796773
N-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 11710213
(E)-but-2-enedioic acid;5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentyl nitrate
CID 166639877
6,7,8-trimethoxy-4-methylquinazoline
CID 70672853
6,7,8-trimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine
CID 18796791
N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 18796778
N'-(2-chloroquinazolin-4-yl)-3-methoxypropanehydrazide
CID 22693205
2-(2-methoxyphenoxy)-N'-quinazolin-4-ylacetohydrazide
CID 21002383
N-[2-(1H-imidazol-5-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 18796736
6,7,8-trimethoxy-N,N-dimethylquinazolin-4-amine
CID 110433384
N-(4-bromo-2-chlorophenyl)-6,7,8-trimethoxyquinazolin-4-amine
CID 24767185

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-(6,7,8-trimethoxyquinazolin-4-yl)propanehydrazide?
The IUPAC name of 3-methoxy-N'-(6,7,8-trimethoxyquinazolin-4-yl)propanehydrazide (CID 110435791) is 3-methoxy-N'-(6,7,8-trimethoxyquinazolin-4-yl)propanehydrazide.
What is the SMILES notation for 3-methoxy-N'-(6,7,8-trimethoxyquinazolin-4-yl)propanehydrazide?
The canonical SMILES for 3-methoxy-N'-(6,7,8-trimethoxyquinazolin-4-yl)propanehydrazide is COCCC(=O)NNc1ncnc2c(OC)c(OC)c(OC)cc12.
What is the InChIKey of 3-methoxy-N'-(6,7,8-trimethoxyquinazolin-4-yl)propanehydrazide?
The InChIKey is XZAHXAHTSZAHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5/c1-21-6-5-11(20)18-19-15-9-7-10(22-2)13(23-3)14(24-4)12(9)16-8-17-15/h7-8H,5-6H2,1-4H3,(H,18,20)(H,16,17,19).
What are the key properties of 3-methoxy-N'-(6,7,8-trimethoxyquinazolin-4-yl)propanehydrazide?
3-methoxy-N'-(6,7,8-trimethoxyquinazolin-4-yl)propanehydrazide has a molecular weight of 336.35 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-(6,7,8-trimethoxyquinazolin-4-yl)propanehydrazide is sourced from PubChem (CID 110435791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).