N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)acetamide

C23H31N5O3 — CID 42370856

IUPACN-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1cc2ccc(OC)cc2nc1N(C)C)C(=O)Cn1nc(C)cc1C
InChIInChI=1S/C23H31N5O3/c1-16-11-17(2)28(25-16)15-22(29)27(9-10-30-5)14-19-12-18-7-8-20(31-6)13-21(18)24-23(19)26(3)4/h7-8,11-13H,9-10,14-15H2,1-6H3
InChIKeyOQLDMLBKUJOHTR-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.80
Rot. Bonds9

About N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)acetamide

N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 42370856) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)acetamide
PubChem CID42370856
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC NameN-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1cc2ccc(OC)cc2nc1N(C)C)C(=O)Cn1nc(C)cc1C
InChIInChI=1S/C23H31N5O3/c1-16-11-17(2)28(25-16)15-22(29)27(9-10-30-5)14-19-12-18-7-8-20(31-6)13-21(18)24-23(19)26(3)4/h7-8,11-13H,9-10,14-15H2,1-6H3
InChIKeyOQLDMLBKUJOHTR-UHFFFAOYSA-N
XLogP2.80
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)acetamide
CID 56855963
1-(4-chlorophenyl)-N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 26326793
N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide
CID 74787202
N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 26274431
N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-ethyl-N-(2-methoxyethyl)butanamide
CID 29084490
N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 126464206
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902450
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-4-ethoxy-N-(2-methoxyethyl)benzamide
CID 3216967
methyl 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]-ethylamino]propanoate
CID 54899031
3-[[ethyl(2-methoxyethyl)amino]methyl]-7-methoxyquinolin-2-amine
CID 62208238
N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-2-methoxy-N-(2-methoxyethyl)acetamide
CID 3216975
2-(3,5-dimethylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide
CID 102322542

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)acetamide (CID 42370856) is N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)acetamide is COCCN(Cc1cc2ccc(OC)cc2nc1N(C)C)C(=O)Cn1nc(C)cc1C.
What is the InChIKey of N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is OQLDMLBKUJOHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-16-11-17(2)28(25-16)15-22(29)27(9-10-30-5)14-19-12-18-7-8-20(31-6)13-21(18)24-23(19)26(3)4/h7-8,11-13H,9-10,14-15H2,1-6H3.
What are the key properties of N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)acetamide?
N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 425.53 g/mol, XLogP of 2.80, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 42370856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).