2-[4-methyl-2-(3-methyl-1-propylpyrazol-4-yl)quinolin-7-yl]acetamide

C19H22N4O — CID 170505568

IUPAC2-[4-methyl-2-(3-methyl-1-propylpyrazol-4-yl)quinolin-7-yl]acetamide
SMILESCCCn1cc(-c2cc(C)c3ccc(CC(N)=O)cc3n2)c(C)n1
InChIInChI=1S/C19H22N4O/c1-4-7-23-11-16(13(3)22-23)17-8-12(2)15-6-5-14(10-19(20)24)9-18(15)21-17/h5-6,8-9,11H,4,7,10H2,1-3H3,(H2,20,24)
InChIKeyFMMSOFITZJRBKY-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.15
Rot. Bonds5

About 2-[4-methyl-2-(3-methyl-1-propylpyrazol-4-yl)quinolin-7-yl]acetamide

2-[4-methyl-2-(3-methyl-1-propylpyrazol-4-yl)quinolin-7-yl]acetamide (PubChem CID 170505568) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[4-methyl-2-(3-methyl-1-propylpyrazol-4-yl)quinolin-7-yl]acetamide.

Molecular Properties

Compound Name2-[4-methyl-2-(3-methyl-1-propylpyrazol-4-yl)quinolin-7-yl]acetamide
PubChem CID170505568
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-[4-methyl-2-(3-methyl-1-propylpyrazol-4-yl)quinolin-7-yl]acetamide
SMILESCCCn1cc(-c2cc(C)c3ccc(CC(N)=O)cc3n2)c(C)n1
InChIInChI=1S/C19H22N4O/c1-4-7-23-11-16(13(3)22-23)17-8-12(2)15-6-5-14(10-19(20)24)9-18(15)21-17/h5-6,8-9,11H,4,7,10H2,1-3H3,(H2,20,24)
InChIKeyFMMSOFITZJRBKY-UHFFFAOYSA-N
XLogP3.15
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-hydroxy-2,6-dimethylphenyl)-4-methylquinolin-7-yl]acetamide
CID 170505769
2-[2-[2-(dimethylamino)pyrimidin-5-yl]-4-methylquinolin-7-yl]acetamide
CID 169419336
2-[3-methyl-4-[4-methyl-6-(trifluoromethyl)quinolin-2-yl]pyrazol-1-yl]ethanol
CID 169421207
[2-(1-ethyl-3-methylpyrazol-4-yl)quinolin-4-yl]methanol
CID 66509490
6-(3-methyl-1-propylpyrazol-4-yl)pyridin-2-amine
CID 66020419
4-[7-(hydroxymethyl)-4-methylquinolin-2-yl]benzoic acid
CID 171915292
2-(2,3-dimethyl-4-oxoquinazolin-6-yl)acetamide
CID 123402793
4-[7-methyl-5-(3-methyl-1-prop-2-enylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 171913184
N-methyl-1-[4-methyl-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methanamine
CID 105410059
2-[2-(3,5-difluorophenyl)-4-methylquinolin-7-yl]-N-methylacetamide
CID 169414079
N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-methyl-1-propylpyrazole-4-carboxamide
CID 72855300
N-[[4-fluoro-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine
CID 66021859

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(3-methyl-1-propylpyrazol-4-yl)quinolin-7-yl]acetamide?
The IUPAC name of 2-[4-methyl-2-(3-methyl-1-propylpyrazol-4-yl)quinolin-7-yl]acetamide (CID 170505568) is 2-[4-methyl-2-(3-methyl-1-propylpyrazol-4-yl)quinolin-7-yl]acetamide.
What is the SMILES notation for 2-[4-methyl-2-(3-methyl-1-propylpyrazol-4-yl)quinolin-7-yl]acetamide?
The canonical SMILES for 2-[4-methyl-2-(3-methyl-1-propylpyrazol-4-yl)quinolin-7-yl]acetamide is CCCn1cc(-c2cc(C)c3ccc(CC(N)=O)cc3n2)c(C)n1.
What is the InChIKey of 2-[4-methyl-2-(3-methyl-1-propylpyrazol-4-yl)quinolin-7-yl]acetamide?
The InChIKey is FMMSOFITZJRBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-4-7-23-11-16(13(3)22-23)17-8-12(2)15-6-5-14(10-19(20)24)9-18(15)21-17/h5-6,8-9,11H,4,7,10H2,1-3H3,(H2,20,24).
What are the key properties of 2-[4-methyl-2-(3-methyl-1-propylpyrazol-4-yl)quinolin-7-yl]acetamide?
2-[4-methyl-2-(3-methyl-1-propylpyrazol-4-yl)quinolin-7-yl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(3-methyl-1-propylpyrazol-4-yl)quinolin-7-yl]acetamide is sourced from PubChem (CID 170505568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).