7-chloro-2-[(Z)-1-chloro-2-(3-ethoxy-4-propoxyphenyl)ethenyl]-3H-quinazolin-4-one

C21H20Cl2N2O3 — CID 135809712

IUPAC7-chloro-2-[(Z)-1-chloro-2-(3-ethoxy-4-propoxyphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCCCOc1ccc(/C=C(\Cl)c2nc3cc(Cl)ccc3c(=O)[nH]2)cc1OCC
InChIInChI=1S/C21H20Cl2N2O3/c1-3-9-28-18-8-5-13(11-19(18)27-4-2)10-16(23)20-24-17-12-14(22)6-7-15(17)21(26)25-20/h5-8,10-12H,3-4,9H2,1-2H3,(H,24,25,26)/b16-10-
InChIKeyPZQKIOGZYMDGPK-YBEGLDIGSA-N
MW419.31 g/mol
LogP5.50
Rot. Bonds7

About 7-chloro-2-[(Z)-1-chloro-2-(3-ethoxy-4-propoxyphenyl)ethenyl]-3H-quinazolin-4-one

7-chloro-2-[(Z)-1-chloro-2-(3-ethoxy-4-propoxyphenyl)ethenyl]-3H-quinazolin-4-one (PubChem CID 135809712) has the molecular formula C21H20Cl2N2O3 and a molecular weight of 419.31 g/mol. Its IUPAC name is 7-chloro-2-[(Z)-1-chloro-2-(3-ethoxy-4-propoxyphenyl)ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[(Z)-1-chloro-2-(3-ethoxy-4-propoxyphenyl)ethenyl]-3H-quinazolin-4-one
PubChem CID135809712
Molecular FormulaC21H20Cl2N2O3
Molecular Weight419.31 g/mol
Exact Mass418.09
IUPAC Name7-chloro-2-[(Z)-1-chloro-2-(3-ethoxy-4-propoxyphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCCCOc1ccc(/C=C(\Cl)c2nc3cc(Cl)ccc3c(=O)[nH]2)cc1OCC
InChIInChI=1S/C21H20Cl2N2O3/c1-3-9-28-18-8-5-13(11-19(18)27-4-2)10-16(23)20-24-17-12-14(22)6-7-15(17)21(26)25-20/h5-8,10-12H,3-4,9H2,1-2H3,(H,24,25,26)/b16-10-
InChIKeyPZQKIOGZYMDGPK-YBEGLDIGSA-N
XLogP5.50
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.31
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-2-[(Z)-1-chloro-2-(3-ethoxy-4-propoxyphenyl)ethenyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

7-chloro-2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135809699
7-chloro-2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135809710
2-[(Z)-1-chloro-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135789391
methyl 2-[(Z)-1-chloro-2-(3-ethoxy-4-methoxyphenyl)ethenyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135789402
7-chloro-2-[(Z)-1-chloro-2-(3,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one
CID 135847774
2-[(Z)-1-chloro-2-(3-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135854665
7-chloro-2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-3H-quinazolin-4-one
CID 135809695
6-chloro-2-[(Z)-1-chloro-2-(3,4-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135811879
6-chloro-2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135811921
2-[4-[(E)-2-chloro-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]-2-methoxyphenoxy]-N-(2-chlorophenyl)acetamide
CID 137269267
methyl 2-[(Z)-1-chloro-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 136877425
7-chloro-2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3H-quinazolin-4-one
CID 135847238

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(Z)-1-chloro-2-(3-ethoxy-4-propoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 7-chloro-2-[(Z)-1-chloro-2-(3-ethoxy-4-propoxyphenyl)ethenyl]-3H-quinazolin-4-one (CID 135809712) is 7-chloro-2-[(Z)-1-chloro-2-(3-ethoxy-4-propoxyphenyl)ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[(Z)-1-chloro-2-(3-ethoxy-4-propoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 7-chloro-2-[(Z)-1-chloro-2-(3-ethoxy-4-propoxyphenyl)ethenyl]-3H-quinazolin-4-one is CCCOc1ccc(/C=C(\Cl)c2nc3cc(Cl)ccc3c(=O)[nH]2)cc1OCC.
What is the InChIKey of 7-chloro-2-[(Z)-1-chloro-2-(3-ethoxy-4-propoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The InChIKey is PZQKIOGZYMDGPK-YBEGLDIGSA-N. The full InChI is InChI=1S/C21H20Cl2N2O3/c1-3-9-28-18-8-5-13(11-19(18)27-4-2)10-16(23)20-24-17-12-14(22)6-7-15(17)21(26)25-20/h5-8,10-12H,3-4,9H2,1-2H3,(H,24,25,26)/b16-10-.
What are the key properties of 7-chloro-2-[(Z)-1-chloro-2-(3-ethoxy-4-propoxyphenyl)ethenyl]-3H-quinazolin-4-one?
7-chloro-2-[(Z)-1-chloro-2-(3-ethoxy-4-propoxyphenyl)ethenyl]-3H-quinazolin-4-one has a molecular weight of 419.31 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(Z)-1-chloro-2-(3-ethoxy-4-propoxyphenyl)ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135809712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).