2-[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)quinolin-8-yl]-N,N-dimethylacetamide

C21H20FN3O — CID 170509127

IUPAC2-[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)quinolin-8-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1cccc2c(C3CC3)cc(-c3ncccc3F)nc12
InChIInChI=1S/C21H20FN3O/c1-25(2)19(26)11-14-5-3-6-15-16(13-8-9-13)12-18(24-20(14)15)21-17(22)7-4-10-23-21/h3-7,10,12-13H,8-9,11H2,1-2H3
InChIKeyRALMJLPQPJINHA-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.94
Rot. Bonds4

About 2-[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)quinolin-8-yl]-N,N-dimethylacetamide

2-[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)quinolin-8-yl]-N,N-dimethylacetamide (PubChem CID 170509127) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)quinolin-8-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)quinolin-8-yl]-N,N-dimethylacetamide
PubChem CID170509127
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name2-[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)quinolin-8-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1cccc2c(C3CC3)cc(-c3ncccc3F)nc12
InChIInChI=1S/C21H20FN3O/c1-25(2)19(26)11-14-5-3-6-15-16(13-8-9-13)12-18(24-20(14)15)21-17(22)7-4-10-23-21/h3-7,10,12-13H,8-9,11H2,1-2H3
InChIKeyRALMJLPQPJINHA-UHFFFAOYSA-N
XLogP3.94
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[4-methyl-2-(3-methyl-1,2-oxazol-5-yl)quinolin-8-yl]acetamide
CID 169420759
2-[2-(1,3-benzothiazol-7-yl)-4-methylquinolin-8-yl]-N,N-dimethylacetamide
CID 169414867
5-cyclopropyl-2-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine;propanoic acid
CID 158125501
N-(3-fluoro-2-pyridinyl)-2-(7-methoxynaphthalen-1-yl)-N-methylacetamide
CID 84589890
2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N,N-dimethylacetamide
CID 83165325
4-(4-ethylcyclohexyl)-8-fluoroquinoline
CID 155416400
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-8-ylacetamide
CID 51307065
5-cyclohexyl-8-fluoroquinoline
CID 175210873
2-[(3-fluoro-2-pyridinyl)amino]-N,N-dimethylacetamide
CID 62734537
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] quinoline-5-carboxylate
CID 55562613
N,N-dimethyl-2-(5-methyl-2-piperidin-4-ylphenyl)acetamide;ethane
CID 155709393
N,N-dimethyl-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetamide
CID 57421416

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)quinolin-8-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)quinolin-8-yl]-N,N-dimethylacetamide (CID 170509127) is 2-[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)quinolin-8-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)quinolin-8-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)quinolin-8-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1cccc2c(C3CC3)cc(-c3ncccc3F)nc12.
What is the InChIKey of 2-[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)quinolin-8-yl]-N,N-dimethylacetamide?
The InChIKey is RALMJLPQPJINHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-25(2)19(26)11-14-5-3-6-15-16(13-8-9-13)12-18(24-20(14)15)21-17(22)7-4-10-23-21/h3-7,10,12-13H,8-9,11H2,1-2H3.
What are the key properties of 2-[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)quinolin-8-yl]-N,N-dimethylacetamide?
2-[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)quinolin-8-yl]-N,N-dimethylacetamide has a molecular weight of 349.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-2-(3-fluoro-2-pyridinyl)quinolin-8-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 170509127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).