2,4-difluoro-N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]benzamide;N,N-dimethylmethanamine

C32H36F2N4O2 — CID 142243408

IUPAC2,4-difluoro-N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]benzamide;N,N-dimethylmethanamine
SMILESCN(C)C.Cc1ccc2c(c1)CCCN2C(=O)C(NC(=O)c1ccc(F)cc1F)C(C)c1c[nH]c2ccccc12
InChIInChI=1S/C29H27F2N3O2.C3H9N/c1-17-9-12-26-19(14-17)6-5-13-34(26)29(36)27(33-28(35)22-11-10-20(30)15-24(22)31)18(2)23-16-32-25-8-4-3-7-21(23)25;1-4(2)3/h3-4,7-12,14-16,18,27,32H,5-6,13H2,1-2H3,(H,33,35);1-3H3
InChIKeyRZBUWPSJVBZXAF-UHFFFAOYSA-N
MW546.66 g/mol
LogP5.81
Rot. Bonds5

About 2,4-difluoro-N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]benzamide;N,N-dimethylmethanamine

2,4-difluoro-N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]benzamide;N,N-dimethylmethanamine (PubChem CID 142243408) has the molecular formula C32H36F2N4O2 and a molecular weight of 546.66 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]benzamide;N,N-dimethylmethanamine.

Molecular Properties

Compound Name2,4-difluoro-N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]benzamide;N,N-dimethylmethanamine
PubChem CID142243408
Molecular FormulaC32H36F2N4O2
Molecular Weight546.66 g/mol
Exact Mass546.28
IUPAC Name2,4-difluoro-N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]benzamide;N,N-dimethylmethanamine
SMILESCN(C)C.Cc1ccc2c(c1)CCCN2C(=O)C(NC(=O)c1ccc(F)cc1F)C(C)c1c[nH]c2ccccc12
InChIInChI=1S/C29H27F2N3O2.C3H9N/c1-17-9-12-26-19(14-17)6-5-13-34(26)29(36)27(33-28(35)22-11-10-20(30)15-24(22)31)18(2)23-16-32-25-8-4-3-7-21(23)25;1-4(2)3/h3-4,7-12,14-16,18,27,32H,5-6,13H2,1-2H3,(H,33,35);1-3H3
InChIKeyRZBUWPSJVBZXAF-UHFFFAOYSA-N
XLogP5.81
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.66
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-difluoro-N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]benzamide;N,N-dimethylmethanamine with MolForge

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Related Compounds

N,N-dimethylmethanamine;N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 142243433
N,N-dimethylmethanamine;ethane;3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[[1-(1-methylindole-2-carbonyl)piperidin-4-yl]methylamino]butan-1-one
CID 142243453
1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)-2-(3-phenylpropylamino)butan-1-one;methanamine
CID 142243444
1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(dibutylamino)-3-(1H-indol-3-yl)butan-1-one
CID 142243353
N-[(2R,3S)-1-[6-[(dimethylamino)methyl]-2,3-dihydroindol-1-yl]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 58724039
4-(2-chlorophenyl)-N-[(2R,3R)-1-(3,4-dihydro-2H-quinolin-1-yl)-4-(dimethylamino)-3-(1H-indol-3-yl)-1-oxobutan-2-yl]piperazine-1-carboxamide
CID 20712063
4-chloro-N-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide
CID 112762141
N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzamide
CID 95056727
4-benzyl-N-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-4-(dimethylamino)-3-(1H-indol-3-yl)-1-oxobutan-2-yl]piperazine-1-carboxamide
CID 139836703
2-(methylamino)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 62638376
(2-amino-4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63109770
N-[1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]butanamide;bis(2,2,2-trifluoroacetic acid)
CID 87998873

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]benzamide;N,N-dimethylmethanamine?
The IUPAC name of 2,4-difluoro-N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]benzamide;N,N-dimethylmethanamine (CID 142243408) is 2,4-difluoro-N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]benzamide;N,N-dimethylmethanamine.
What is the SMILES notation for 2,4-difluoro-N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]benzamide;N,N-dimethylmethanamine?
The canonical SMILES for 2,4-difluoro-N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]benzamide;N,N-dimethylmethanamine is CN(C)C.Cc1ccc2c(c1)CCCN2C(=O)C(NC(=O)c1ccc(F)cc1F)C(C)c1c[nH]c2ccccc12.
What is the InChIKey of 2,4-difluoro-N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]benzamide;N,N-dimethylmethanamine?
The InChIKey is RZBUWPSJVBZXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F2N3O2.C3H9N/c1-17-9-12-26-19(14-17)6-5-13-34(26)29(36)27(33-28(35)22-11-10-20(30)15-24(22)31)18(2)23-16-32-25-8-4-3-7-21(23)25;1-4(2)3/h3-4,7-12,14-16,18,27,32H,5-6,13H2,1-2H3,(H,33,35);1-3H3.
What are the key properties of 2,4-difluoro-N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]benzamide;N,N-dimethylmethanamine?
2,4-difluoro-N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]benzamide;N,N-dimethylmethanamine has a molecular weight of 546.66 g/mol, XLogP of 5.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]benzamide;N,N-dimethylmethanamine is sourced from PubChem (CID 142243408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).