4-(5-methoxy-2-methylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile

C25H20N4O — CID 5330486

IUPAC4-(5-methoxy-2-methylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile
SMILESCOc1ccc(C)c(Nc2c(C#N)cnc3cc(/C=C/c4ccncc4)ccc23)c1
InChIInChI=1S/C25H20N4O/c1-17-3-7-21(30-2)14-23(17)29-25-20(15-26)16-28-24-13-19(6-8-22(24)25)5-4-18-9-11-27-12-10-18/h3-14,16H,1-2H3,(H,28,29)/b5-4+
InChIKeySMHZFHONIVEXQC-SNAWJCMRSA-N
MW392.46 g/mol
LogP5.73
Rot. Bonds5

About 4-(5-methoxy-2-methylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile

4-(5-methoxy-2-methylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile (PubChem CID 5330486) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-(5-methoxy-2-methylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(5-methoxy-2-methylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile
PubChem CID5330486
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name4-(5-methoxy-2-methylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile
SMILESCOc1ccc(C)c(Nc2c(C#N)cnc3cc(/C=C/c4ccncc4)ccc23)c1
InChIInChI=1S/C25H20N4O/c1-17-3-7-21(30-2)14-23(17)29-25-20(15-26)16-28-24-13-19(6-8-22(24)25)5-4-18-9-11-27-12-10-18/h3-14,16H,1-2H3,(H,28,29)/b5-4+
InChIKeySMHZFHONIVEXQC-SNAWJCMRSA-N
XLogP5.73
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-2-methylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile?
The IUPAC name of 4-(5-methoxy-2-methylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile (CID 5330486) is 4-(5-methoxy-2-methylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile.
What is the SMILES notation for 4-(5-methoxy-2-methylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile?
The canonical SMILES for 4-(5-methoxy-2-methylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile is COc1ccc(C)c(Nc2c(C#N)cnc3cc(/C=C/c4ccncc4)ccc23)c1.
What is the InChIKey of 4-(5-methoxy-2-methylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile?
The InChIKey is SMHZFHONIVEXQC-SNAWJCMRSA-N. The full InChI is InChI=1S/C25H20N4O/c1-17-3-7-21(30-2)14-23(17)29-25-20(15-26)16-28-24-13-19(6-8-22(24)25)5-4-18-9-11-27-12-10-18/h3-14,16H,1-2H3,(H,28,29)/b5-4+.
What are the key properties of 4-(5-methoxy-2-methylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile?
4-(5-methoxy-2-methylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile has a molecular weight of 392.46 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-2-methylanilino)-7-[(E)-2-pyridin-4-ylethenyl]quinoline-3-carbonitrile is sourced from PubChem (CID 5330486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).