(4S)-N-[1-(4,4-difluoropiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide

C25H27F2N3O2 — CID 134337355

IUPAC(4S)-N-[1-(4,4-difluoropiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
SMILESCN1C(=O)C[C@H](C(=O)NC2Cc3ccccc3C2N2CCC(F)(F)CC2)c2ccccc21
InChIInChI=1S/C25H27F2N3O2/c1-29-21-9-5-4-8-18(21)19(15-22(29)31)24(32)28-20-14-16-6-2-3-7-17(16)23(20)30-12-10-25(26,27)11-13-30/h2-9,19-20,23H,10-15H2,1H3,(H,28,32)/t19-,20?,23?/m0/s1
InChIKeyKKBSUVHVNNMFDV-UDTLNKQYSA-N
MW439.51 g/mol
LogP3.65
Rot. Bonds3

About (4S)-N-[1-(4,4-difluoropiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide

(4S)-N-[1-(4,4-difluoropiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide (PubChem CID 134337355) has the molecular formula C25H27F2N3O2 and a molecular weight of 439.51 g/mol. Its IUPAC name is (4S)-N-[1-(4,4-difluoropiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[1-(4,4-difluoropiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
PubChem CID134337355
Molecular FormulaC25H27F2N3O2
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Name(4S)-N-[1-(4,4-difluoropiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
SMILESCN1C(=O)C[C@H](C(=O)NC2Cc3ccccc3C2N2CCC(F)(F)CC2)c2ccccc21
InChIInChI=1S/C25H27F2N3O2/c1-29-21-9-5-4-8-18(21)19(15-22(29)31)24(32)28-20-14-16-6-2-3-7-17(16)23(20)30-12-10-25(26,27)11-13-30/h2-9,19-20,23H,10-15H2,1H3,(H,28,32)/t19-,20?,23?/m0/s1
InChIKeyKKBSUVHVNNMFDV-UDTLNKQYSA-N
XLogP3.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-N-[1-(4,4-difluoropiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide with MolForge

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Related Compounds

(4S)-1-methyl-N-[(1R,2R)-1-morpholin-4-yl-2,3-dihydro-1H-inden-2-yl]-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 134330963
1-methyl-2-oxo-N-propyl-3,4-dihydroquinoline-4-carboxamide
CID 110702951
1-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110703022
N-[2-(dimethylamino)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110702966
4-[4-(2,2-difluorocyclopropyl)piperidine-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 155957535
N-(3-acetamidophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110703069
N-[1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 75459992
(4R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 33277293
N-(2-carbamoylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110703065
1-methyl-2-oxo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3,4-dihydroquinoline-4-carboxamide
CID 146139808
N-(3-chloro-4-methylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110703047
1-(1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl)piperidine-4-carboxamide
CID 110703004

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[1-(4,4-difluoropiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
The IUPAC name of (4S)-N-[1-(4,4-difluoropiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide (CID 134337355) is (4S)-N-[1-(4,4-difluoropiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide.
What is the SMILES notation for (4S)-N-[1-(4,4-difluoropiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
The canonical SMILES for (4S)-N-[1-(4,4-difluoropiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide is CN1C(=O)C[C@H](C(=O)NC2Cc3ccccc3C2N2CCC(F)(F)CC2)c2ccccc21.
What is the InChIKey of (4S)-N-[1-(4,4-difluoropiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
The InChIKey is KKBSUVHVNNMFDV-UDTLNKQYSA-N. The full InChI is InChI=1S/C25H27F2N3O2/c1-29-21-9-5-4-8-18(21)19(15-22(29)31)24(32)28-20-14-16-6-2-3-7-17(16)23(20)30-12-10-25(26,27)11-13-30/h2-9,19-20,23H,10-15H2,1H3,(H,28,32)/t19-,20?,23?/m0/s1.
What are the key properties of (4S)-N-[1-(4,4-difluoropiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
(4S)-N-[1-(4,4-difluoropiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide has a molecular weight of 439.51 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[1-(4,4-difluoropiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide is sourced from PubChem (CID 134337355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).