2-[(4-cyanoquinolin-2-yl)amino]-N-methylpropanamide

C14H14N4O — CID 63886397

IUPAC2-[(4-cyanoquinolin-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1cc(C#N)c2ccccc2n1
InChIInChI=1S/C14H14N4O/c1-9(14(19)16-2)17-13-7-10(8-15)11-5-3-4-6-12(11)18-13/h3-7,9H,1-2H3,(H,16,19)(H,17,18)
InChIKeyCAOYCORIMWYEIB-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.65
Rot. Bonds3

About 2-[(4-cyanoquinolin-2-yl)amino]-N-methylpropanamide

2-[(4-cyanoquinolin-2-yl)amino]-N-methylpropanamide (PubChem CID 63886397) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[(4-cyanoquinolin-2-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(4-cyanoquinolin-2-yl)amino]-N-methylpropanamide
PubChem CID63886397
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-[(4-cyanoquinolin-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1cc(C#N)c2ccccc2n1
InChIInChI=1S/C14H14N4O/c1-9(14(19)16-2)17-13-7-10(8-15)11-5-3-4-6-12(11)18-13/h3-7,9H,1-2H3,(H,16,19)(H,17,18)
InChIKeyCAOYCORIMWYEIB-UHFFFAOYSA-N
XLogP1.65
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanoquinolin-2-yl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(4-cyanoquinolin-2-yl)amino]-N-methylpropanamide (CID 63886397) is 2-[(4-cyanoquinolin-2-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(4-cyanoquinolin-2-yl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(4-cyanoquinolin-2-yl)amino]-N-methylpropanamide is CNC(=O)C(C)Nc1cc(C#N)c2ccccc2n1.
What is the InChIKey of 2-[(4-cyanoquinolin-2-yl)amino]-N-methylpropanamide?
The InChIKey is CAOYCORIMWYEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9(14(19)16-2)17-13-7-10(8-15)11-5-3-4-6-12(11)18-13/h3-7,9H,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[(4-cyanoquinolin-2-yl)amino]-N-methylpropanamide?
2-[(4-cyanoquinolin-2-yl)amino]-N-methylpropanamide has a molecular weight of 254.29 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanoquinolin-2-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 63886397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).