1-(1,6-dimethyl-3,4-dihydro-2H-quinolin-3-yl)-N,N-dimethylmethanamine;3-(1H-indol-3-yl)propanal;1-(1-methylindole-3-carbonyl)piperidine-4-carboxamide

C41H52N6O3 — CID 142056021

IUPAC1-(1,6-dimethyl-3,4-dihydro-2H-quinolin-3-yl)-N,N-dimethylmethanamine;3-(1H-indol-3-yl)propanal;1-(1-methylindole-3-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc2c(c1)CC(CN(C)C)CN2C.Cn1cc(C(=O)N2CCC(C(N)=O)CC2)c2ccccc21.O=CCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H19N3O2.C14H22N2.C11H11NO/c1-18-10-13(12-4-2-3-5-14(12)18)16(21)19-8-6-11(7-9-19)15(17)20;1-11-5-6-14-13(7-11)8-12(9-15(2)3)10-16(14)4;13-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h2-5,10-11H,6-9H2,1H3,(H2,17,20);5-7,12H,8-10H2,1-4H3;1-2,5-8,12H,3-4H2
InChIKeyJQCFKPIIBVJDDZ-UHFFFAOYSA-N
MW676.91 g/mol
LogP5.98
Rot. Bonds7

About 1-(1,6-dimethyl-3,4-dihydro-2H-quinolin-3-yl)-N,N-dimethylmethanamine;3-(1H-indol-3-yl)propanal;1-(1-methylindole-3-carbonyl)piperidine-4-carboxamide

1-(1,6-dimethyl-3,4-dihydro-2H-quinolin-3-yl)-N,N-dimethylmethanamine;3-(1H-indol-3-yl)propanal;1-(1-methylindole-3-carbonyl)piperidine-4-carboxamide (PubChem CID 142056021) has the molecular formula C41H52N6O3 and a molecular weight of 676.91 g/mol. Its IUPAC name is 1-(1,6-dimethyl-3,4-dihydro-2H-quinolin-3-yl)-N,N-dimethylmethanamine;3-(1H-indol-3-yl)propanal;1-(1-methylindole-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,6-dimethyl-3,4-dihydro-2H-quinolin-3-yl)-N,N-dimethylmethanamine;3-(1H-indol-3-yl)propanal;1-(1-methylindole-3-carbonyl)piperidine-4-carboxamide
PubChem CID142056021
Molecular FormulaC41H52N6O3
Molecular Weight676.91 g/mol
Exact Mass676.41
IUPAC Name1-(1,6-dimethyl-3,4-dihydro-2H-quinolin-3-yl)-N,N-dimethylmethanamine;3-(1H-indol-3-yl)propanal;1-(1-methylindole-3-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc2c(c1)CC(CN(C)C)CN2C.Cn1cc(C(=O)N2CCC(C(N)=O)CC2)c2ccccc21.O=CCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H19N3O2.C14H22N2.C11H11NO/c1-18-10-13(12-4-2-3-5-14(12)18)16(21)19-8-6-11(7-9-19)15(17)20;1-11-5-6-14-13(7-11)8-12(9-15(2)3)10-16(14)4;13-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h2-5,10-11H,6-9H2,1H3,(H2,17,20);5-7,12H,8-10H2,1-4H3;1-2,5-8,12H,3-4H2
InChIKeyJQCFKPIIBVJDDZ-UHFFFAOYSA-N
XLogP5.98
TPSA107.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.91
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(1,6-dimethyl-3,4-dihydro-2H-quinolin-3-yl)-N,N-dimethylmethanamine;3-(1H-indol-3-yl)propanal;1-(1-methylindole-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,6-dimethyl-3,4-dihydro-2H-quinolin-3-yl)-N,N-dimethylmethanamine;3-(1H-indol-3-yl)propanal;1-(1-methylindole-3-carbonyl)piperidine-4-carboxamide (CID 142056021) is 1-(1,6-dimethyl-3,4-dihydro-2H-quinolin-3-yl)-N,N-dimethylmethanamine;3-(1H-indol-3-yl)propanal;1-(1-methylindole-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,6-dimethyl-3,4-dihydro-2H-quinolin-3-yl)-N,N-dimethylmethanamine;3-(1H-indol-3-yl)propanal;1-(1-methylindole-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,6-dimethyl-3,4-dihydro-2H-quinolin-3-yl)-N,N-dimethylmethanamine;3-(1H-indol-3-yl)propanal;1-(1-methylindole-3-carbonyl)piperidine-4-carboxamide is Cc1ccc2c(c1)CC(CN(C)C)CN2C.Cn1cc(C(=O)N2CCC(C(N)=O)CC2)c2ccccc21.O=CCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-(1,6-dimethyl-3,4-dihydro-2H-quinolin-3-yl)-N,N-dimethylmethanamine;3-(1H-indol-3-yl)propanal;1-(1-methylindole-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is JQCFKPIIBVJDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2.C14H22N2.C11H11NO/c1-18-10-13(12-4-2-3-5-14(12)18)16(21)19-8-6-11(7-9-19)15(17)20;1-11-5-6-14-13(7-11)8-12(9-15(2)3)10-16(14)4;13-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h2-5,10-11H,6-9H2,1H3,(H2,17,20);5-7,12H,8-10H2,1-4H3;1-2,5-8,12H,3-4H2.
What are the key properties of 1-(1,6-dimethyl-3,4-dihydro-2H-quinolin-3-yl)-N,N-dimethylmethanamine;3-(1H-indol-3-yl)propanal;1-(1-methylindole-3-carbonyl)piperidine-4-carboxamide?
1-(1,6-dimethyl-3,4-dihydro-2H-quinolin-3-yl)-N,N-dimethylmethanamine;3-(1H-indol-3-yl)propanal;1-(1-methylindole-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 676.91 g/mol, XLogP of 5.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,6-dimethyl-3,4-dihydro-2H-quinolin-3-yl)-N,N-dimethylmethanamine;3-(1H-indol-3-yl)propanal;1-(1-methylindole-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 142056021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).