(4Z)-4-ethylidene-6,7-dimethoxy-1H-quinazoline

C12H14N2O2 — CID 142962232

IUPAC(4Z)-4-ethylidene-6,7-dimethoxy-1H-quinazoline
SMILESC/C=C1\N=CNc2cc(OC)c(OC)cc21
InChIInChI=1S/C12H14N2O2/c1-4-9-8-5-11(15-2)12(16-3)6-10(8)14-7-13-9/h4-7H,1-3H3,(H,13,14)/b9-4-
InChIKeyWOZNVSOECWFESO-WTKPLQERSA-N
MW218.26 g/mol
LogP2.52
Rot. Bonds2

About (4Z)-4-ethylidene-6,7-dimethoxy-1H-quinazoline

(4Z)-4-ethylidene-6,7-dimethoxy-1H-quinazoline (PubChem CID 142962232) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (4Z)-4-ethylidene-6,7-dimethoxy-1H-quinazoline.

Molecular Properties

Compound Name(4Z)-4-ethylidene-6,7-dimethoxy-1H-quinazoline
PubChem CID142962232
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(4Z)-4-ethylidene-6,7-dimethoxy-1H-quinazoline
SMILESC/C=C1\N=CNc2cc(OC)c(OC)cc21
InChIInChI=1S/C12H14N2O2/c1-4-9-8-5-11(15-2)12(16-3)6-10(8)14-7-13-9/h4-7H,1-3H3,(H,13,14)/b9-4-
InChIKeyWOZNVSOECWFESO-WTKPLQERSA-N
XLogP2.52
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethylidene-6,7-dimethoxy-1H-quinazoline?
The IUPAC name of (4Z)-4-ethylidene-6,7-dimethoxy-1H-quinazoline (CID 142962232) is (4Z)-4-ethylidene-6,7-dimethoxy-1H-quinazoline.
What is the SMILES notation for (4Z)-4-ethylidene-6,7-dimethoxy-1H-quinazoline?
The canonical SMILES for (4Z)-4-ethylidene-6,7-dimethoxy-1H-quinazoline is C/C=C1\N=CNc2cc(OC)c(OC)cc21.
What is the InChIKey of (4Z)-4-ethylidene-6,7-dimethoxy-1H-quinazoline?
The InChIKey is WOZNVSOECWFESO-WTKPLQERSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-4-9-8-5-11(15-2)12(16-3)6-10(8)14-7-13-9/h4-7H,1-3H3,(H,13,14)/b9-4-.
What are the key properties of (4Z)-4-ethylidene-6,7-dimethoxy-1H-quinazoline?
(4Z)-4-ethylidene-6,7-dimethoxy-1H-quinazoline has a molecular weight of 218.26 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethylidene-6,7-dimethoxy-1H-quinazoline is sourced from PubChem (CID 142962232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).