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

C17H19F2N3O — CID 43065929

IUPACN-(1-cyano-1-cyclopropylethyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCC(C#N)(NC(=O)CN1CCCc2cc(F)cc(F)c21)C1CC1
InChIInChI=1S/C17H19F2N3O/c1-17(10-20,12-4-5-12)21-15(23)9-22-6-2-3-11-7-13(18)8-14(19)16(11)22/h7-8,12H,2-6,9H2,1H3,(H,21,23)
InChIKeyLLPFGTMZIPTCQE-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.53
Rot. Bonds4

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

N-(1-cyano-1-cyclopropylethyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 43065929) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(1-cyano-1-cyclopropylethyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyano-1-cyclopropylethyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID43065929
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-(1-cyano-1-cyclopropylethyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCC(C#N)(NC(=O)CN1CCCc2cc(F)cc(F)c21)C1CC1
InChIInChI=1S/C17H19F2N3O/c1-17(10-20,12-4-5-12)21-15(23)9-22-6-2-3-11-7-13(18)8-14(19)16(11)22/h7-8,12H,2-6,9H2,1H3,(H,21,23)
InChIKeyLLPFGTMZIPTCQE-UHFFFAOYSA-N
XLogP2.53
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyano-1-cyclopropylethyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide with MolForge

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 55627158
N-(cyclopentylcarbamoyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 43065906
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8771474
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(propylcarbamoyl)acetamide
CID 34009318
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(4-fluorophenyl)piperidin-1-yl]acetamide
CID 97061567
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 34008980
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 9205197
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 43065879
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436370
1-[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxamide
CID 78860771
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 34009418
N-cyclopropyl-3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
CID 43065986

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 43065929) is N-(1-cyano-1-cyclopropylethyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-(1-cyano-1-cyclopropylethyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-(1-cyano-1-cyclopropylethyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide is CC(C#N)(NC(=O)CN1CCCc2cc(F)cc(F)c21)C1CC1.
What is the InChIKey of N-(1-cyano-1-cyclopropylethyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is LLPFGTMZIPTCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-17(10-20,12-4-5-12)21-15(23)9-22-6-2-3-11-7-13(18)8-14(19)16(11)22/h7-8,12H,2-6,9H2,1H3,(H,21,23).
What are the key properties of N-(1-cyano-1-cyclopropylethyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-(1-cyano-1-cyclopropylethyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 319.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-1-cyclopropylethyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 43065929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).