N-cyclopropyl-3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide

C21H21F2N3O2 — CID 43065986

IUPACN-cyclopropyl-3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
SMILESO=C(CN1CCCc2cc(F)cc(F)c21)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C21H21F2N3O2/c22-15-9-13-4-2-8-26(20(13)18(23)11-15)12-19(27)24-17-5-1-3-14(10-17)21(28)25-16-6-7-16/h1,3,5,9-11,16H,2,4,6-8,12H2,(H,24,27)(H,25,28)
InChIKeyUPUDPMWFRAJGKU-UHFFFAOYSA-N
MW385.41 g/mol
LogP3.25
Rot. Bonds5

About N-cyclopropyl-3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide

N-cyclopropyl-3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide (PubChem CID 43065986) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
PubChem CID43065986
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC NameN-cyclopropyl-3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
SMILESO=C(CN1CCCc2cc(F)cc(F)c21)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C21H21F2N3O2/c22-15-9-13-4-2-8-26(20(13)18(23)11-15)12-19(27)24-17-5-1-3-14(10-17)21(28)25-16-6-7-16/h1,3,5,9-11,16H,2,4,6-8,12H2,(H,24,27)(H,25,28)
InChIKeyUPUDPMWFRAJGKU-UHFFFAOYSA-N
XLogP3.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide with MolForge

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Related Compounds

3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-diethylbenzamide
CID 34009774
N-(cyclopentylcarbamoyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 43065906
N-(1-acetylpiperidin-4-yl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 55627158
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 119908377
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 34008980
N-cyclopropyl-3-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 30704619
N-cyclopropyl-3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 119906484
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 34009738
(2S)-1-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910364
3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide
CID 168520744
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-sulfamoylphenyl)acetamide
CID 37383510
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 43065879

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide (CID 43065986) is N-cyclopropyl-3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide is O=C(CN1CCCc2cc(F)cc(F)c21)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide?
The InChIKey is UPUDPMWFRAJGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c22-15-9-13-4-2-8-26(20(13)18(23)11-15)12-19(27)24-17-5-1-3-14(10-17)21(28)25-16-6-7-16/h1,3,5,9-11,16H,2,4,6-8,12H2,(H,24,27)(H,25,28).
What are the key properties of N-cyclopropyl-3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide?
N-cyclopropyl-3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide has a molecular weight of 385.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 43065986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).