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

C43H58N6O2 — CID 142243453

IUPACN,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
SMILESCC.CN(C)C.Cc1ccc2c(c1)CCCN2C(=O)C(NCC1CCN(C(=O)c2cc3ccccc3n2C)CC1)C(C)c1c[nH]c2ccccc12
InChIInChI=1S/C38H43N5O2.C3H9N.C2H6/c1-25-14-15-34-28(21-25)10-8-18-43(34)38(45)36(26(2)31-24-39-32-12-6-5-11-30(31)32)40-23-27-16-19-42(20-17-27)37(44)35-22-29-9-4-7-13-33(29)41(35)3;1-4(2)3;1-2/h4-7,9,11-15,21-22,24,26-27,36,39-40H,8,10,16-20,23H2,1-3H3;1-3H3;1-2H3
InChIKeyUKUZSODBJWZCFA-UHFFFAOYSA-N
MW690.98 g/mol
LogP7.77
Rot. Bonds7

About 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

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 (PubChem CID 142243453) has the molecular formula C43H58N6O2 and a molecular weight of 690.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID142243453
Molecular FormulaC43H58N6O2
Molecular Weight690.98 g/mol
Exact Mass690.46
IUPAC NameN,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
SMILESCC.CN(C)C.Cc1ccc2c(c1)CCCN2C(=O)C(NCC1CCN(C(=O)c2cc3ccccc3n2C)CC1)C(C)c1c[nH]c2ccccc12
InChIInChI=1S/C38H43N5O2.C3H9N.C2H6/c1-25-14-15-34-28(21-25)10-8-18-43(34)38(45)36(26(2)31-24-39-32-12-6-5-11-30(31)32)40-23-27-16-19-42(20-17-27)37(44)35-22-29-9-4-7-13-33(29)41(35)3;1-4(2)3;1-2/h4-7,9,11-15,21-22,24,26-27,36,39-40H,8,10,16-20,23H2,1-3H3;1-3H3;1-2H3
InChIKeyUKUZSODBJWZCFA-UHFFFAOYSA-N
XLogP7.77
TPSA76.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.98
LogP ≤ 57.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 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-[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
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
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
1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-2-[(2-chlorophenyl)methylamino]-3-(1H-indol-3-yl)butan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 87998834
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-benzyl-N-[(2R,3S)-1-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]piperidine-1-carboxamide
CID 58723699
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
(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-(2-chlorobenzoyl)-N-[(2R,3S)-1-[(3R)-6-chloro-3-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]piperazine-1-carboxamide
CID 142243423
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CN(C)C.Cc1ccc2c(c1)CCCN2C(=O)C(NCC1CCN(C(=O)c2cc3ccccc3n2C)CC1)C(C)c1c[nH]c2ccccc12.
What is the InChIKey of 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?
The InChIKey is UKUZSODBJWZCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43N5O2.C3H9N.C2H6/c1-25-14-15-34-28(21-25)10-8-18-43(34)38(45)36(26(2)31-24-39-32-12-6-5-11-30(31)32)40-23-27-16-19-42(20-17-27)37(44)35-22-29-9-4-7-13-33(29)41(35)3;1-4(2)3;1-2/h4-7,9,11-15,21-22,24,26-27,36,39-40H,8,10,16-20,23H2,1-3H3;1-3H3;1-2H3.
What are the key properties of 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?
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 has a molecular weight of 690.98 g/mol, XLogP of 7.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142243453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).