[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate

C22H18F2N2O3 — CID 8944406

IUPAC[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate
SMILESC[C@@H](OC(=O)c1cc(C2CC2)nc2ccccc12)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C22H18F2N2O3/c1-12(21(27)26-20-16(23)6-4-7-17(20)24)29-22(28)15-11-19(13-9-10-13)25-18-8-3-2-5-14(15)18/h2-8,11-13H,9-10H2,1H3,(H,26,27)/t12-/m1/s1
InChIKeyKYRAQRVKCNKJQZ-GFCCVEGCSA-N
MW396.39 g/mol
LogP4.57
Rot. Bonds5

About [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate

[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate (PubChem CID 8944406) has the molecular formula C22H18F2N2O3 and a molecular weight of 396.39 g/mol. Its IUPAC name is [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate
PubChem CID8944406
Molecular FormulaC22H18F2N2O3
Molecular Weight396.39 g/mol
Exact Mass396.13
IUPAC Name[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate
SMILESC[C@@H](OC(=O)c1cc(C2CC2)nc2ccccc12)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C22H18F2N2O3/c1-12(21(27)26-20-16(23)6-4-7-17(20)24)29-22(28)15-11-19(13-9-10-13)25-18-8-3-2-5-14(15)18/h2-8,11-13H,9-10H2,1H3,(H,26,27)/t12-/m1/s1
InChIKeyKYRAQRVKCNKJQZ-GFCCVEGCSA-N
XLogP4.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate with MolForge

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Related Compounds

[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate
CID 8944498
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
CID 8998883
[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate
CID 8944516
[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate
CID 55417919
[(2R)-1-anilino-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate
CID 9009541
[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate
CID 7648436
2-cyclopropyl-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]quinoline-4-carbohydrazide
CID 9160023
[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 7825067
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 7866906
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 7395332
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate
CID 8739165
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 42968677

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate?
The IUPAC name of [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate (CID 8944406) is [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate.
What is the SMILES notation for [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate?
The canonical SMILES for [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate is C[C@@H](OC(=O)c1cc(C2CC2)nc2ccccc12)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate?
The InChIKey is KYRAQRVKCNKJQZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H18F2N2O3/c1-12(21(27)26-20-16(23)6-4-7-17(20)24)29-22(28)15-11-19(13-9-10-13)25-18-8-3-2-5-14(15)18/h2-8,11-13H,9-10H2,1H3,(H,26,27)/t12-/m1/s1.
What are the key properties of [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate?
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate has a molecular weight of 396.39 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate is sourced from PubChem (CID 8944406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).