(Z)-N-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)-N',2-dimethyl-4-oxobut-2-enehydrazide

C19H18N4O3S — CID 22124930

IUPAC(Z)-N-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)-N',2-dimethyl-4-oxobut-2-enehydrazide
SMILESCNN(C(=O)/C(C)=C\C=O)c1nc(-c2cccs2)nc2cccc(OC)c12
InChIInChI=1S/C19H18N4O3S/c1-12(9-10-24)19(25)23(20-2)18-16-13(6-4-7-14(16)26-3)21-17(22-18)15-8-5-11-27-15/h4-11,20H,1-3H3/b12-9-
InChIKeyXCJMEEFQADRPLA-XFXZXTDPSA-N
MW382.45 g/mol
LogP2.98
Rot. Bonds6

About (Z)-N-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)-N',2-dimethyl-4-oxobut-2-enehydrazide

(Z)-N-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)-N',2-dimethyl-4-oxobut-2-enehydrazide (PubChem CID 22124930) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is (Z)-N-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)-N',2-dimethyl-4-oxobut-2-enehydrazide.

Molecular Properties

Compound Name(Z)-N-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)-N',2-dimethyl-4-oxobut-2-enehydrazide
PubChem CID22124930
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name(Z)-N-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)-N',2-dimethyl-4-oxobut-2-enehydrazide
SMILESCNN(C(=O)/C(C)=C\C=O)c1nc(-c2cccs2)nc2cccc(OC)c12
InChIInChI=1S/C19H18N4O3S/c1-12(9-10-24)19(25)23(20-2)18-16-13(6-4-7-14(16)26-3)21-17(22-18)15-8-5-11-27-15/h4-11,20H,1-3H3/b12-9-
InChIKeyXCJMEEFQADRPLA-XFXZXTDPSA-N
XLogP2.98
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 (Z)-N-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)-N',2-dimethyl-4-oxobut-2-enehydrazide?
The IUPAC name of (Z)-N-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)-N',2-dimethyl-4-oxobut-2-enehydrazide (CID 22124930) is (Z)-N-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)-N',2-dimethyl-4-oxobut-2-enehydrazide.
What is the SMILES notation for (Z)-N-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)-N',2-dimethyl-4-oxobut-2-enehydrazide?
The canonical SMILES for (Z)-N-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)-N',2-dimethyl-4-oxobut-2-enehydrazide is CNN(C(=O)/C(C)=C\C=O)c1nc(-c2cccs2)nc2cccc(OC)c12.
What is the InChIKey of (Z)-N-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)-N',2-dimethyl-4-oxobut-2-enehydrazide?
The InChIKey is XCJMEEFQADRPLA-XFXZXTDPSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-12(9-10-24)19(25)23(20-2)18-16-13(6-4-7-14(16)26-3)21-17(22-18)15-8-5-11-27-15/h4-11,20H,1-3H3/b12-9-.
What are the key properties of (Z)-N-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)-N',2-dimethyl-4-oxobut-2-enehydrazide?
(Z)-N-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)-N',2-dimethyl-4-oxobut-2-enehydrazide has a molecular weight of 382.45 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)-N',2-dimethyl-4-oxobut-2-enehydrazide is sourced from PubChem (CID 22124930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).