N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine

C19H24N4O — CID 133452203

IUPACN-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine
SMILESCCc1nn(C)c(OC)c1CNc1c(C)c(C)nc2ccccc12
InChIInChI=1S/C19H24N4O/c1-6-16-15(19(24-5)23(4)22-16)11-20-18-12(2)13(3)21-17-10-8-7-9-14(17)18/h7-10H,6,11H2,1-5H3,(H,20,21)
InChIKeyKGAGQXYAVBDPQI-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.77
Rot. Bonds5

About N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine

N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine (PubChem CID 133452203) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine.

Molecular Properties

Compound NameN-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine
PubChem CID133452203
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine
SMILESCCc1nn(C)c(OC)c1CNc1c(C)c(C)nc2ccccc12
InChIInChI=1S/C19H24N4O/c1-6-16-15(19(24-5)23(4)22-16)11-20-18-12(2)13(3)21-17-10-8-7-9-14(17)18/h7-10H,6,11H2,1-5H3,(H,20,21)
InChIKeyKGAGQXYAVBDPQI-UHFFFAOYSA-N
XLogP3.77
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine?
The IUPAC name of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine (CID 133452203) is N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine.
What is the SMILES notation for N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine?
The canonical SMILES for N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine is CCc1nn(C)c(OC)c1CNc1c(C)c(C)nc2ccccc12.
What is the InChIKey of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine?
The InChIKey is KGAGQXYAVBDPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-6-16-15(19(24-5)23(4)22-16)11-20-18-12(2)13(3)21-17-10-8-7-9-14(17)18/h7-10H,6,11H2,1-5H3,(H,20,21).
What are the key properties of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine?
N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine has a molecular weight of 324.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine is sourced from PubChem (CID 133452203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).