(Z)-2-(3-formyl-5-methoxyphenyl)-3-quinolin-2-ylprop-2-enenitrile

C20H14N2O2 — CID 134468922

IUPAC(Z)-2-(3-formyl-5-methoxyphenyl)-3-quinolin-2-ylprop-2-enenitrile
SMILESCOc1cc(C=O)cc(/C(C#N)=C/c2ccc3ccccc3n2)c1
InChIInChI=1S/C20H14N2O2/c1-24-19-9-14(13-23)8-16(11-19)17(12-21)10-18-7-6-15-4-2-3-5-20(15)22-18/h2-11,13H,1H3/b17-10+
InChIKeyFDWLJNCKTAKYQI-LICLKQGHSA-N
MW314.34 g/mol
LogP4.12
Rot. Bonds4

About (Z)-2-(3-formyl-5-methoxyphenyl)-3-quinolin-2-ylprop-2-enenitrile

(Z)-2-(3-formyl-5-methoxyphenyl)-3-quinolin-2-ylprop-2-enenitrile (PubChem CID 134468922) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is (Z)-2-(3-formyl-5-methoxyphenyl)-3-quinolin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(3-formyl-5-methoxyphenyl)-3-quinolin-2-ylprop-2-enenitrile
PubChem CID134468922
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name(Z)-2-(3-formyl-5-methoxyphenyl)-3-quinolin-2-ylprop-2-enenitrile
SMILESCOc1cc(C=O)cc(/C(C#N)=C/c2ccc3ccccc3n2)c1
InChIInChI=1S/C20H14N2O2/c1-24-19-9-14(13-23)8-16(11-19)17(12-21)10-18-7-6-15-4-2-3-5-20(15)22-18/h2-11,13H,1H3/b17-10+
InChIKeyFDWLJNCKTAKYQI-LICLKQGHSA-N
XLogP4.12
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-phenyl-3-quinolin-2-ylprop-2-enenitrile
CID 170857761
2-(1H-benzimidazol-2-yl)-3-quinolin-2-ylprop-2-enenitrile
CID 4897205
quinoline-2-carbaldehyde;hydrate
CID 158547927
(Z)-2,3-bis(3-methoxyphenyl)prop-2-enenitrile
CID 10945343
2-(3,5-dimethoxyphenoxy)quinoline
CID 175975830
(Z)-2-(1H-benzimidazol-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile
CID 86775933
(Z)-2-(1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile
CID 92861139
ethyl (Z)-2-methyl-3-quinolin-2-ylprop-2-enoate
CID 59134931
2-(2-chloroprop-1-enyl)quinoline
CID 173335992
2-(1,3-benzothiazol-2-yl)-3-(6-methoxynaphthalen-2-yl)prop-2-enenitrile
CID 4815920
[3-[(E)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenyl] 2-chloroacetate
CID 39115519
2-[1,2-bis(4-methoxyphenyl)ethenyl]quinoline
CID 175109611

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3-formyl-5-methoxyphenyl)-3-quinolin-2-ylprop-2-enenitrile?
The IUPAC name of (Z)-2-(3-formyl-5-methoxyphenyl)-3-quinolin-2-ylprop-2-enenitrile (CID 134468922) is (Z)-2-(3-formyl-5-methoxyphenyl)-3-quinolin-2-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-2-(3-formyl-5-methoxyphenyl)-3-quinolin-2-ylprop-2-enenitrile?
The canonical SMILES for (Z)-2-(3-formyl-5-methoxyphenyl)-3-quinolin-2-ylprop-2-enenitrile is COc1cc(C=O)cc(/C(C#N)=C/c2ccc3ccccc3n2)c1.
What is the InChIKey of (Z)-2-(3-formyl-5-methoxyphenyl)-3-quinolin-2-ylprop-2-enenitrile?
The InChIKey is FDWLJNCKTAKYQI-LICLKQGHSA-N. The full InChI is InChI=1S/C20H14N2O2/c1-24-19-9-14(13-23)8-16(11-19)17(12-21)10-18-7-6-15-4-2-3-5-20(15)22-18/h2-11,13H,1H3/b17-10+.
What are the key properties of (Z)-2-(3-formyl-5-methoxyphenyl)-3-quinolin-2-ylprop-2-enenitrile?
(Z)-2-(3-formyl-5-methoxyphenyl)-3-quinolin-2-ylprop-2-enenitrile has a molecular weight of 314.34 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3-formyl-5-methoxyphenyl)-3-quinolin-2-ylprop-2-enenitrile is sourced from PubChem (CID 134468922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).