2-(3,3-difluorocyclobutyl)-N-[1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]acetamide

C24H27F3N2O — CID 177096152

IUPAC2-(3,3-difluorocyclobutyl)-N-[1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESCc1cc2c(c(C)c1NC(=O)CC1CC(F)(F)C1)CCCN2Cc1ccc(F)cc1
InChIInChI=1S/C24H27F3N2O/c1-15-10-21-20(4-3-9-29(21)14-17-5-7-19(25)8-6-17)16(2)23(15)28-22(30)11-18-12-24(26,27)13-18/h5-8,10,18H,3-4,9,11-14H2,1-2H3,(H,28,30)
InChIKeyKBSJHTHWHBOMGQ-UHFFFAOYSA-N
MW416.49 g/mol
LogP5.77
Rot. Bonds5

About 2-(3,3-difluorocyclobutyl)-N-[1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]acetamide

2-(3,3-difluorocyclobutyl)-N-[1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]acetamide (PubChem CID 177096152) has the molecular formula C24H27F3N2O and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)-N-[1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]acetamide.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)-N-[1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
PubChem CID177096152
Molecular FormulaC24H27F3N2O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name2-(3,3-difluorocyclobutyl)-N-[1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESCc1cc2c(c(C)c1NC(=O)CC1CC(F)(F)C1)CCCN2Cc1ccc(F)cc1
InChIInChI=1S/C24H27F3N2O/c1-15-10-21-20(4-3-9-29(21)14-17-5-7-19(25)8-6-17)16(2)23(15)28-22(30)11-18-12-24(26,27)13-18/h5-8,10,18H,3-4,9,11-14H2,1-2H3,(H,28,30)
InChIKeyKBSJHTHWHBOMGQ-UHFFFAOYSA-N
XLogP5.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.49
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[(4-bromophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]-3,3-dimethylbutanamide
CID 72721214
N-[8-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-6-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl]-3,3-dimethylbutanamide
CID 168967031
N-[6,8-dichloro-2-(4-fluorophenyl)-1,3,4,5-tetrahydro-2-benzazepin-7-yl]-2-(3,3-difluorocyclobutyl)acetamide
CID 177096244
N-[1-[(3-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide
CID 25191104
N-[4-[(4-fluorophenyl)methyl]-6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-(1-methylcyclopropyl)acetamide
CID 177096273
2-(3,3-difluorocyclobutyl)-N-[4-[(7S)-7-(4-fluorophenyl)-1,4-oxazepan-4-yl]-2,6-dimethylphenyl]acetamide
CID 176712064
N-[5-[1-[(4-fluorophenyl)methyl]-6,8-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl]-3,3-dimethylpent-4-ynyl]formamide
CID 175076463
N-[6,8-dichloro-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(3,3-difluorocyclobutyl)acetamide
CID 177096291
2-(3,3-difluorocyclobutyl)-N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]acetamide
CID 167785519
N-[2,6-dichloro-4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-2-(3,3-difluorocyclobutyl)acetamide
CID 176738379
2-(3,3-difluorocyclobutyl)-N-[2,6-dimethyl-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]acetamide
CID 176711146
6-amino-1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydroquinolin-2-one
CID 123877548

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)-N-[1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The IUPAC name of 2-(3,3-difluorocyclobutyl)-N-[1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]acetamide (CID 177096152) is 2-(3,3-difluorocyclobutyl)-N-[1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]acetamide.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)-N-[1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)-N-[1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]acetamide is Cc1cc2c(c(C)c1NC(=O)CC1CC(F)(F)C1)CCCN2Cc1ccc(F)cc1.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)-N-[1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The InChIKey is KBSJHTHWHBOMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O/c1-15-10-21-20(4-3-9-29(21)14-17-5-7-19(25)8-6-17)16(2)23(15)28-22(30)11-18-12-24(26,27)13-18/h5-8,10,18H,3-4,9,11-14H2,1-2H3,(H,28,30).
What are the key properties of 2-(3,3-difluorocyclobutyl)-N-[1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]acetamide?
2-(3,3-difluorocyclobutyl)-N-[1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]acetamide has a molecular weight of 416.49 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)-N-[1-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]acetamide is sourced from PubChem (CID 177096152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).