N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methoxy-N-methylquinolin-4-amine

C19H24N4O — CID 166363359

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methoxy-N-methylquinolin-4-amine
SMILESCOc1ccc2c(N(C)Cc3cc(C(C)(C)C)n[nH]3)ccnc2c1
InChIInChI=1S/C19H24N4O/c1-19(2,3)18-10-13(21-22-18)12-23(4)17-8-9-20-16-11-14(24-5)6-7-15(16)17/h6-11H,12H2,1-5H3,(H,21,22)
InChIKeyPMEQOFPOVCDXKV-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.90
Rot. Bonds4

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methoxy-N-methylquinolin-4-amine

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methoxy-N-methylquinolin-4-amine (PubChem CID 166363359) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methoxy-N-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methoxy-N-methylquinolin-4-amine
PubChem CID166363359
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methoxy-N-methylquinolin-4-amine
SMILESCOc1ccc2c(N(C)Cc3cc(C(C)(C)C)n[nH]3)ccnc2c1
InChIInChI=1S/C19H24N4O/c1-19(2,3)18-10-13(21-22-18)12-23(4)17-8-9-20-16-11-14(24-5)6-7-15(16)17/h6-11H,12H2,1-5H3,(H,21,22)
InChIKeyPMEQOFPOVCDXKV-UHFFFAOYSA-N
XLogP3.90
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methoxy-N-methylquinolin-4-amine?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methoxy-N-methylquinolin-4-amine (CID 166363359) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methoxy-N-methylquinolin-4-amine.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methoxy-N-methylquinolin-4-amine?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methoxy-N-methylquinolin-4-amine is COc1ccc2c(N(C)Cc3cc(C(C)(C)C)n[nH]3)ccnc2c1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methoxy-N-methylquinolin-4-amine?
The InChIKey is PMEQOFPOVCDXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-19(2,3)18-10-13(21-22-18)12-23(4)17-8-9-20-16-11-14(24-5)6-7-15(16)17/h6-11H,12H2,1-5H3,(H,21,22).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methoxy-N-methylquinolin-4-amine?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methoxy-N-methylquinolin-4-amine has a molecular weight of 324.43 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methoxy-N-methylquinolin-4-amine is sourced from PubChem (CID 166363359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).