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

C32H44N4O2 — CID 142243433

IUPACN,N-dimethylmethanamine;N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCN(C)C.Cc1ccc2c(c1)CCCN2C(=O)C(NC(=O)C1CCCCC1)C(C)c1c[nH]c2ccccc12
InChIInChI=1S/C29H35N3O2.C3H9N/c1-19-14-15-26-22(17-19)11-8-16-32(26)29(34)27(31-28(33)21-9-4-3-5-10-21)20(2)24-18-30-25-13-7-6-12-23(24)25;1-4(2)3/h6-7,12-15,17-18,20-21,27,30H,3-5,8-11,16H2,1-2H3,(H,31,33);1-3H3
InChIKeyPAZHOBROGOCFLA-UHFFFAOYSA-N
MW516.73 g/mol
LogP5.80
Rot. Bonds5

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

N,N-dimethylmethanamine;N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]cyclohexanecarboxamide (PubChem CID 142243433) has the molecular formula C32H44N4O2 and a molecular weight of 516.73 g/mol. Its IUPAC name is N,N-dimethylmethanamine;N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN,N-dimethylmethanamine;N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]cyclohexanecarboxamide
PubChem CID142243433
Molecular FormulaC32H44N4O2
Molecular Weight516.73 g/mol
Exact Mass516.35
IUPAC NameN,N-dimethylmethanamine;N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCN(C)C.Cc1ccc2c(c1)CCCN2C(=O)C(NC(=O)C1CCCCC1)C(C)c1c[nH]c2ccccc12
InChIInChI=1S/C29H35N3O2.C3H9N/c1-19-14-15-26-22(17-19)11-8-16-32(26)29(34)27(31-28(33)21-9-4-3-5-10-21)20(2)24-18-30-25-13-7-6-12-23(24)25;1-4(2)3/h6-7,12-15,17-18,20-21,27,30H,3-5,8-11,16H2,1-2H3,(H,31,33);1-3H3
InChIKeyPAZHOBROGOCFLA-UHFFFAOYSA-N
XLogP5.80
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.73
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
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-[1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide
CID 10312578
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclohexanecarboxamide
CID 18584143
N-[(2R,3S)-1-[3-[(dimethylamino)methyl]anilino]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-1-phenylpiperidine-4-carboxamide
CID 58723961
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
2-(methylamino)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 62638376
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclopentanecarboxamide
CID 7656708
(2R)-N-[1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 87998835
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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]cyclohexanecarboxamide?
The IUPAC name of 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) is N,N-dimethylmethanamine;N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N,N-dimethylmethanamine;N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N,N-dimethylmethanamine;N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]cyclohexanecarboxamide is CN(C)C.Cc1ccc2c(c1)CCCN2C(=O)C(NC(=O)C1CCCCC1)C(C)c1c[nH]c2ccccc12.
What is the InChIKey of N,N-dimethylmethanamine;N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]cyclohexanecarboxamide?
The InChIKey is PAZHOBROGOCFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O2.C3H9N/c1-19-14-15-26-22(17-19)11-8-16-32(26)29(34)27(31-28(33)21-9-4-3-5-10-21)20(2)24-18-30-25-13-7-6-12-23(24)25;1-4(2)3/h6-7,12-15,17-18,20-21,27,30H,3-5,8-11,16H2,1-2H3,(H,31,33);1-3H3.
What are the key properties of N,N-dimethylmethanamine;N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]cyclohexanecarboxamide?
N,N-dimethylmethanamine;N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]cyclohexanecarboxamide has a molecular weight of 516.73 g/mol, XLogP of 5.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;N-[3-(1H-indol-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 142243433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).