(Z)-2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enenitrile

C22H17N3O3 — CID 135602765

IUPAC(Z)-2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enenitrile
SMILESCOc1ccc2nc(/C(C#N)=C\C3=Cc4ccccc4OC3C)[nH]c(=O)c2c1
InChIInChI=1S/C22H17N3O3/c1-13-15(9-14-5-3-4-6-20(14)28-13)10-16(12-23)21-24-19-8-7-17(27-2)11-18(19)22(26)25-21/h3-11,13H,1-2H3,(H,24,25,26)/b16-10-
InChIKeyQYTXTCZHHLDDJX-YBEGLDIGSA-N
MW371.40 g/mol
LogP3.70
Rot. Bonds3

About (Z)-2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enenitrile

(Z)-2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enenitrile (PubChem CID 135602765) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is (Z)-2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enenitrile
PubChem CID135602765
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name(Z)-2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enenitrile
SMILESCOc1ccc2nc(/C(C#N)=C\C3=Cc4ccccc4OC3C)[nH]c(=O)c2c1
InChIInChI=1S/C22H17N3O3/c1-13-15(9-14-5-3-4-6-20(14)28-13)10-16(12-23)21-24-19-8-7-17(27-2)11-18(19)22(26)25-21/h3-11,13H,1-2H3,(H,24,25,26)/b16-10-
InChIKeyQYTXTCZHHLDDJX-YBEGLDIGSA-N
XLogP3.70
TPSA88.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze (Z)-2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enenitrile with MolForge

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Related Compounds

2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-pyridin-3-ylprop-2-enenitrile
CID 135519711
2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile
CID 135519723
3-(2-methoxyphenyl)-2-(6-methyl-4-oxo-3H-quinazolin-2-yl)prop-2-enenitrile
CID 135400143
3-(2H-chromen-3-yl)-2-(4-oxo-3H-quinazolin-2-yl)prop-2-enenitrile
CID 135464411
3-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)prop-2-enenitrile
CID 135400149
(Z)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(4-oxo-3H-quinazolin-2-yl)prop-2-enenitrile
CID 136822103
2-(6-ethoxy-4-oxo-3H-quinazolin-2-yl)-3-(3-hydroxyphenyl)prop-2-enenitrile
CID 135520895
3-(5-bromo-2-methoxyphenyl)-2-(4-oxo-3H-quinazolin-2-yl)prop-2-enenitrile
CID 135499037
[4-[(E)-2-cyano-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 135711628
2-(6-ethoxy-4-oxo-3H-quinazolin-2-yl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enenitrile
CID 135520887
(E)-3-(4-tert-butylphenyl)-2-(4-oxo-3H-quinazolin-2-yl)prop-2-enenitrile
CID 135602634
(E)-3-(2-chloro-4-phenoxyphenyl)-2-(4-oxo-3H-quinazolin-2-yl)prop-2-enenitrile
CID 135990495

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enenitrile?
The IUPAC name of (Z)-2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enenitrile (CID 135602765) is (Z)-2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enenitrile is COc1ccc2nc(/C(C#N)=C\C3=Cc4ccccc4OC3C)[nH]c(=O)c2c1.
What is the InChIKey of (Z)-2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enenitrile?
The InChIKey is QYTXTCZHHLDDJX-YBEGLDIGSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-13-15(9-14-5-3-4-6-20(14)28-13)10-16(12-23)21-24-19-8-7-17(27-2)11-18(19)22(26)25-21/h3-11,13H,1-2H3,(H,24,25,26)/b16-10-.
What are the key properties of (Z)-2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enenitrile?
(Z)-2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enenitrile has a molecular weight of 371.40 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enenitrile is sourced from PubChem (CID 135602765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).