2-methyl-2-[(2-methylquinolin-4-yl)amino]propanamide

C14H17N3O — CID 61220010

IUPAC2-methyl-2-[(2-methylquinolin-4-yl)amino]propanamide
SMILESCc1cc(NC(C)(C)C(N)=O)c2ccccc2n1
InChIInChI=1S/C14H17N3O/c1-9-8-12(17-14(2,3)13(15)18)10-6-4-5-7-11(10)16-9/h4-8H,1-3H3,(H2,15,18)(H,16,17)
InChIKeyYOHZEMNBRVVOIY-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.22
Rot. Bonds3

About 2-methyl-2-[(2-methylquinolin-4-yl)amino]propanamide

2-methyl-2-[(2-methylquinolin-4-yl)amino]propanamide (PubChem CID 61220010) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylquinolin-4-yl)amino]propanamide.

Molecular Properties

Compound Name2-methyl-2-[(2-methylquinolin-4-yl)amino]propanamide
PubChem CID61220010
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-methyl-2-[(2-methylquinolin-4-yl)amino]propanamide
SMILESCc1cc(NC(C)(C)C(N)=O)c2ccccc2n1
InChIInChI=1S/C14H17N3O/c1-9-8-12(17-14(2,3)13(15)18)10-6-4-5-7-11(10)16-9/h4-8H,1-3H3,(H2,15,18)(H,16,17)
InChIKeyYOHZEMNBRVVOIY-UHFFFAOYSA-N
XLogP2.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylquinolin-4-yl)amino]propanamide?
The IUPAC name of 2-methyl-2-[(2-methylquinolin-4-yl)amino]propanamide (CID 61220010) is 2-methyl-2-[(2-methylquinolin-4-yl)amino]propanamide.
What is the SMILES notation for 2-methyl-2-[(2-methylquinolin-4-yl)amino]propanamide?
The canonical SMILES for 2-methyl-2-[(2-methylquinolin-4-yl)amino]propanamide is Cc1cc(NC(C)(C)C(N)=O)c2ccccc2n1.
What is the InChIKey of 2-methyl-2-[(2-methylquinolin-4-yl)amino]propanamide?
The InChIKey is YOHZEMNBRVVOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-8-12(17-14(2,3)13(15)18)10-6-4-5-7-11(10)16-9/h4-8H,1-3H3,(H2,15,18)(H,16,17).
What are the key properties of 2-methyl-2-[(2-methylquinolin-4-yl)amino]propanamide?
2-methyl-2-[(2-methylquinolin-4-yl)amino]propanamide has a molecular weight of 243.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylquinolin-4-yl)amino]propanamide is sourced from PubChem (CID 61220010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).