N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)quinoline-4-carboxamide

C26H21F2N5O3 — CID 150581008

IUPACN-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)quinoline-4-carboxamide
SMILESN#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1ccnc2ccc(-c3ccc4c(c3)CCC(=O)N4)cc12
InChIInChI=1S/C26H21F2N5O3/c27-26(28)11-18(12-29)33(14-26)24(35)13-31-25(36)19-7-8-30-22-5-2-16(10-20(19)22)15-1-4-21-17(9-15)3-6-23(34)32-21/h1-2,4-5,7-10,18H,3,6,11,13-14H2,(H,31,36)(H,32,34)/t18-/m0/s1
InChIKeyINVGDLJDMZWPKT-SFHVURJKSA-N
MW489.48 g/mol
LogP3.28
Rot. Bonds4

About N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)quinoline-4-carboxamide

N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)quinoline-4-carboxamide (PubChem CID 150581008) has the molecular formula C26H21F2N5O3 and a molecular weight of 489.48 g/mol. Its IUPAC name is N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)quinoline-4-carboxamide
PubChem CID150581008
Molecular FormulaC26H21F2N5O3
Molecular Weight489.48 g/mol
Exact Mass489.16
IUPAC NameN-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)quinoline-4-carboxamide
SMILESN#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1ccnc2ccc(-c3ccc4c(c3)CCC(=O)N4)cc12
InChIInChI=1S/C26H21F2N5O3/c27-26(28)11-18(12-29)33(14-26)24(35)13-31-25(36)19-7-8-30-22-5-2-16(10-20(19)22)15-1-4-21-17(9-15)3-6-23(34)32-21/h1-2,4-5,7-10,18H,3,6,11,13-14H2,(H,31,36)(H,32,34)/t18-/m0/s1
InChIKeyINVGDLJDMZWPKT-SFHVURJKSA-N
XLogP3.28
TPSA115.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.48
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)quinoline-4-carboxamide with MolForge

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Related Compounds

((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
3-(4-(4-(4-(5-oxo-1,6-naphthyridin-6(5H)-yl)phenyl)piperazin-1-yl)butyl)-1H-indole-5-carbonitrile
CID 118190855
3-(3-(4-(4-(5-oxo-1,6-naphthyridin-6(5H)-yl)phenyl)piperazin-1-yl)propyl)-1H-indole-5-carbonitrile
CID 118191039
Sabiporide
CID 9868115
4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15951573
4-methyl-1-oxo-N-pyridin-3-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15951576
N-(2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl)quinoline-3-carboxamide
CID 44138050
N-(6-carbamoyl-3-pyridinyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 44143526
Indole-based 6-membered lactam, 3a
CID 44143543
4-(cyclohexylamino)-N-quinolin-3-ylbenzamide
CID 44450288
N-[(2S)-1-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]quinoline-3-carboxamide
CID 50902705
(S)-N-(2-(2-Cyanopyrrolidine-1-yl)-2-oxoethyl)-6-fluoroquinoline-4-carboxamide
CID 71667229

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)quinoline-4-carboxamide?
The IUPAC name of N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)quinoline-4-carboxamide (CID 150581008) is N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)quinoline-4-carboxamide is N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1ccnc2ccc(-c3ccc4c(c3)CCC(=O)N4)cc12.
What is the InChIKey of N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)quinoline-4-carboxamide?
The InChIKey is INVGDLJDMZWPKT-SFHVURJKSA-N. The full InChI is InChI=1S/C26H21F2N5O3/c27-26(28)11-18(12-29)33(14-26)24(35)13-31-25(36)19-7-8-30-22-5-2-16(10-20(19)22)15-1-4-21-17(9-15)3-6-23(34)32-21/h1-2,4-5,7-10,18H,3,6,11,13-14H2,(H,31,36)(H,32,34)/t18-/m0/s1.
What are the key properties of N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)quinoline-4-carboxamide?
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)quinoline-4-carboxamide has a molecular weight of 489.48 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)quinoline-4-carboxamide is sourced from PubChem (CID 150581008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).