N',N'-dimethyl-N-quinazolin-6-ylprop-2-enehydrazide

C13H14N4O — CID 68511183

IUPACN',N'-dimethyl-N-quinazolin-6-ylprop-2-enehydrazide
SMILESC=CC(=O)N(c1ccc2ncncc2c1)N(C)C
InChIInChI=1S/C13H14N4O/c1-4-13(18)17(16(2)3)11-5-6-12-10(7-11)8-14-9-15-12/h4-9H,1H2,2-3H3
InChIKeySQJCUBHMVVXIDI-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.63
Rot. Bonds3

About N',N'-dimethyl-N-quinazolin-6-ylprop-2-enehydrazide

N',N'-dimethyl-N-quinazolin-6-ylprop-2-enehydrazide (PubChem CID 68511183) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N',N'-dimethyl-N-quinazolin-6-ylprop-2-enehydrazide.

Molecular Properties

Compound NameN',N'-dimethyl-N-quinazolin-6-ylprop-2-enehydrazide
PubChem CID68511183
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN',N'-dimethyl-N-quinazolin-6-ylprop-2-enehydrazide
SMILESC=CC(=O)N(c1ccc2ncncc2c1)N(C)C
InChIInChI=1S/C13H14N4O/c1-4-13(18)17(16(2)3)11-5-6-12-10(7-11)8-14-9-15-12/h4-9H,1H2,2-3H3
InChIKeySQJCUBHMVVXIDI-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-quinazolin-6-ylprop-2-enehydrazide?
The IUPAC name of N',N'-dimethyl-N-quinazolin-6-ylprop-2-enehydrazide (CID 68511183) is N',N'-dimethyl-N-quinazolin-6-ylprop-2-enehydrazide.
What is the SMILES notation for N',N'-dimethyl-N-quinazolin-6-ylprop-2-enehydrazide?
The canonical SMILES for N',N'-dimethyl-N-quinazolin-6-ylprop-2-enehydrazide is C=CC(=O)N(c1ccc2ncncc2c1)N(C)C.
What is the InChIKey of N',N'-dimethyl-N-quinazolin-6-ylprop-2-enehydrazide?
The InChIKey is SQJCUBHMVVXIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-4-13(18)17(16(2)3)11-5-6-12-10(7-11)8-14-9-15-12/h4-9H,1H2,2-3H3.
What are the key properties of N',N'-dimethyl-N-quinazolin-6-ylprop-2-enehydrazide?
N',N'-dimethyl-N-quinazolin-6-ylprop-2-enehydrazide has a molecular weight of 242.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-quinazolin-6-ylprop-2-enehydrazide is sourced from PubChem (CID 68511183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).