6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide

C25H21ClF2N4O2 — CID 154966204

IUPAC6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
SMILESCC[C@@]1(C#N)CC(F)(F)CN1C(=O)CNC(=O)c1ccnc2ccc(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C25H21ClF2N4O2/c1-2-24(14-29)13-25(27,28)15-32(24)22(33)12-31-23(34)19-9-10-30-21-8-5-17(11-20(19)21)16-3-6-18(26)7-4-16/h3-11H,2,12-13,15H2,1H3,(H,31,34)/t24-/m0/s1
InChIKeyKIBTVPZLAIBNBZ-DEOSSOPVSA-N
MW482.92 g/mol
LogP4.82
Rot. Bonds5

About 6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide

6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide (PubChem CID 154966204) has the molecular formula C25H21ClF2N4O2 and a molecular weight of 482.92 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
PubChem CID154966204
Molecular FormulaC25H21ClF2N4O2
Molecular Weight482.92 g/mol
Exact Mass482.13
IUPAC Name6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
SMILESCC[C@@]1(C#N)CC(F)(F)CN1C(=O)CNC(=O)c1ccnc2ccc(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C25H21ClF2N4O2/c1-2-24(14-29)13-25(27,28)15-32(24)22(33)12-31-23(34)19-9-10-30-21-8-5-17(11-20(19)21)16-3-6-18(26)7-4-16/h3-11H,2,12-13,15H2,1H3,(H,31,34)/t24-/m0/s1
InChIKeyKIBTVPZLAIBNBZ-DEOSSOPVSA-N
XLogP4.82
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.92
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide with MolForge

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Related Compounds

6-(6-chloronaphthalen-2-yl)-N-[2-[(2R)-2-cyano-4,4-difluoro-2-phenylpyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 154966274
6-(6-chloronaphthalen-2-yl)-N-[2-[(2S)-2-cyano-4,4-difluoro-2-piperidin-1-ylpyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 153196878
N-[2-(2-cyano-4,4-difluoro-2-methoxypyrrolidin-1-yl)-2-oxoethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide
CID 151729711
N-[2-[(2R)-2-cyano-2-cyclopropyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide
CID 154966262
N-[2-[(2S)-2-cyano-4,4-difluoro-2-piperidin-1-ylpyrrolidin-1-yl]-2-oxoethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide
CID 154966213
N-[2-[(2S)-2-cyano-5,5-difluoropiperidin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)quinoline-4-carboxamide
CID 154966246
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-quinazolin-6-ylquinoline-4-carboxamide
CID 154942099
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(3-methyl-1-benzofuran-6-yl)quinoline-4-carboxamide
CID 154966193
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-(6-propan-2-yloxy-3-pyridinyl)quinoline-4-carboxamide
CID 154590816
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-(2,3-dihydro-1H-indol-5-yl)quinoline-4-carboxamide
CID 152724134
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-(1,2,3,4-tetrahydroquinolin-6-yl)quinoline-4-carboxamide
CID 151114197
6-[2-(4-chlorocyclohexa-2,4-dien-1-yl)ethenyl]-N-[2-(2-cyano-4,4-difluoro-2-phenylpyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide
CID 150690506

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide (CID 154966204) is 6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide is CC[C@@]1(C#N)CC(F)(F)CN1C(=O)CNC(=O)c1ccnc2ccc(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of 6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide?
The InChIKey is KIBTVPZLAIBNBZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H21ClF2N4O2/c1-2-24(14-29)13-25(27,28)15-32(24)22(33)12-31-23(34)19-9-10-30-21-8-5-17(11-20(19)21)16-3-6-18(26)7-4-16/h3-11H,2,12-13,15H2,1H3,(H,31,34)/t24-/m0/s1.
What are the key properties of 6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide?
6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide has a molecular weight of 482.92 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[2-[(2S)-2-cyano-2-ethyl-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide is sourced from PubChem (CID 154966204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).