2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(propylcarbamoyl)acetamide

C15H19F2N3O2 — CID 34009318

IUPAC2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1CCCc2cc(F)cc(F)c21
InChIInChI=1S/C15H19F2N3O2/c1-2-5-18-15(22)19-13(21)9-20-6-3-4-10-7-11(16)8-12(17)14(10)20/h7-8H,2-6,9H2,1H3,(H2,18,19,21,22)
InChIKeyHYQZPJHQBSGIKD-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.95
Rot. Bonds4

About 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(propylcarbamoyl)acetamide

2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(propylcarbamoyl)acetamide (PubChem CID 34009318) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(propylcarbamoyl)acetamide
PubChem CID34009318
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1CCCc2cc(F)cc(F)c21
InChIInChI=1S/C15H19F2N3O2/c1-2-5-18-15(22)19-13(21)9-20-6-3-4-10-7-11(16)8-12(17)14(10)20/h7-8H,2-6,9H2,1H3,(H2,18,19,21,22)
InChIKeyHYQZPJHQBSGIKD-UHFFFAOYSA-N
XLogP1.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylcarbamoyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 43065906
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 37383582
N-(2,5-diethoxyphenyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 34010060
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(3-phenylpropyl)acetamide
CID 43065858
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 34008890
N-(1-acetylpiperidin-4-yl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 55627158
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 34008980
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43065877
3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-diethylbenzamide
CID 34009774
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 43065879
N-(1-cyano-1-cyclopropylethyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 43065929
N-(3-chloro-2-methylphenyl)-2-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]acetamide
CID 43065952

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(propylcarbamoyl)acetamide (CID 34009318) is 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN1CCCc2cc(F)cc(F)c21.
What is the InChIKey of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(propylcarbamoyl)acetamide?
The InChIKey is HYQZPJHQBSGIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c1-2-5-18-15(22)19-13(21)9-20-6-3-4-10-7-11(16)8-12(17)14(10)20/h7-8H,2-6,9H2,1H3,(H2,18,19,21,22).
What are the key properties of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(propylcarbamoyl)acetamide?
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(propylcarbamoyl)acetamide has a molecular weight of 311.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 34009318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).