2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-pyridin-3-ylprop-2-enenitrile

C17H12N4O2 — CID 135519711

IUPAC2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-pyridin-3-ylprop-2-enenitrile
SMILESCOc1ccc2nc(C(C#N)=Cc3cccnc3)[nH]c(=O)c2c1
InChIInChI=1S/C17H12N4O2/c1-23-13-4-5-15-14(8-13)17(22)21-16(20-15)12(9-18)7-11-3-2-6-19-10-11/h2-8,10H,1H3,(H,20,21,22)
InChIKeyLCXKPZXDBCAPBZ-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.39
Rot. Bonds3

About 2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-pyridin-3-ylprop-2-enenitrile

2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-pyridin-3-ylprop-2-enenitrile (PubChem CID 135519711) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-pyridin-3-ylprop-2-enenitrile.

Molecular Properties

Compound Name2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-pyridin-3-ylprop-2-enenitrile
PubChem CID135519711
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-pyridin-3-ylprop-2-enenitrile
SMILESCOc1ccc2nc(C(C#N)=Cc3cccnc3)[nH]c(=O)c2c1
InChIInChI=1S/C17H12N4O2/c1-23-13-4-5-15-14(8-13)17(22)21-16(20-15)12(9-18)7-11-3-2-6-19-10-11/h2-8,10H,1H3,(H,20,21,22)
InChIKeyLCXKPZXDBCAPBZ-UHFFFAOYSA-N
XLogP2.39
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enenitrile
CID 135519723
3-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)prop-2-enenitrile
CID 135400149
2-(6-ethoxy-4-oxo-3H-quinazolin-2-yl)-3-(3-hydroxyphenyl)prop-2-enenitrile
CID 135520895
(Z)-2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enenitrile
CID 135602765
[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
(Z)-2-(6-methoxy-1H-benzimidazol-2-yl)-3-(3-phenoxyphenyl)prop-2-enenitrile
CID 126396585
(E)-2-(6-bromo-4-oxo-3H-quinazolin-2-yl)-3-pyridin-4-ylprop-2-enenitrile
CID 135782649
(Z)-3-(3-chlorophenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile
CID 126398296
(E)-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
CID 135782646
3-(2-methoxyphenyl)-2-(6-methyl-4-oxo-3H-quinazolin-2-yl)prop-2-enenitrile
CID 135400143
(Z)-2-(1H-benzimidazol-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile
CID 86775933

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-pyridin-3-ylprop-2-enenitrile?
The IUPAC name of 2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-pyridin-3-ylprop-2-enenitrile (CID 135519711) is 2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-pyridin-3-ylprop-2-enenitrile.
What is the SMILES notation for 2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-pyridin-3-ylprop-2-enenitrile?
The canonical SMILES for 2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-pyridin-3-ylprop-2-enenitrile is COc1ccc2nc(C(C#N)=Cc3cccnc3)[nH]c(=O)c2c1.
What is the InChIKey of 2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-pyridin-3-ylprop-2-enenitrile?
The InChIKey is LCXKPZXDBCAPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c1-23-13-4-5-15-14(8-13)17(22)21-16(20-15)12(9-18)7-11-3-2-6-19-10-11/h2-8,10H,1H3,(H,20,21,22).
What are the key properties of 2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-pyridin-3-ylprop-2-enenitrile?
2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-pyridin-3-ylprop-2-enenitrile has a molecular weight of 304.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-3-pyridin-3-ylprop-2-enenitrile is sourced from PubChem (CID 135519711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).