N-[[5-[3-[1-[(8-methoxyquinolin-5-yl)methyl]piperidin-4-yl]propoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine

C33H40N4O2 — CID 118730198

IUPACN-[[5-[3-[1-[(8-methoxyquinolin-5-yl)methyl]piperidin-4-yl]propoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)Cc1cc2cc(OCCCC3CCN(Cc4ccc(OC)c5ncccc45)CC3)ccc2n1C
InChIInChI=1S/C33H40N4O2/c1-5-17-35(2)24-28-21-27-22-29(11-12-31(27)36(28)3)39-20-7-8-25-14-18-37(19-15-25)23-26-10-13-32(38-4)33-30(26)9-6-16-34-33/h1,6,9-13,16,21-22,25H,7-8,14-15,17-20,23-24H2,2-4H3
InChIKeyKAMCYDVYIMMVEU-UHFFFAOYSA-N
MW524.71 g/mol
LogP5.87
Rot. Bonds11

About N-[[5-[3-[1-[(8-methoxyquinolin-5-yl)methyl]piperidin-4-yl]propoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine

N-[[5-[3-[1-[(8-methoxyquinolin-5-yl)methyl]piperidin-4-yl]propoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine (PubChem CID 118730198) has the molecular formula C33H40N4O2 and a molecular weight of 524.71 g/mol. Its IUPAC name is N-[[5-[3-[1-[(8-methoxyquinolin-5-yl)methyl]piperidin-4-yl]propoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-[[5-[3-[1-[(8-methoxyquinolin-5-yl)methyl]piperidin-4-yl]propoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine
PubChem CID118730198
Molecular FormulaC33H40N4O2
Molecular Weight524.71 g/mol
Exact Mass524.32
IUPAC NameN-[[5-[3-[1-[(8-methoxyquinolin-5-yl)methyl]piperidin-4-yl]propoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)Cc1cc2cc(OCCCC3CCN(Cc4ccc(OC)c5ncccc45)CC3)ccc2n1C
InChIInChI=1S/C33H40N4O2/c1-5-17-35(2)24-28-21-27-22-29(11-12-31(27)36(28)3)39-20-7-8-25-14-18-37(19-15-25)23-26-10-13-32(38-4)33-30(26)9-6-16-34-33/h1,6,9-13,16,21-22,25H,7-8,14-15,17-20,23-24H2,2-4H3
InChIKeyKAMCYDVYIMMVEU-UHFFFAOYSA-N
XLogP5.87
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.71
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[5-[3-[1-[(8-methoxyquinolin-5-yl)methyl]piperidin-4-yl]propoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine with MolForge

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Related Compounds

6-{5-[(2S)-2-amino-3-(1-methyl-1H-indol-3-yl)propoxy]pyridin-3-yl}isoquinoline
CID 23646996
5-[[4-(2-Methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 2303849
5-(Quinolin-5-yl)naphtho[2,3-b]pyrrolo[1,2-d][1,4]oxazepin-4-yl acetate
CID 135121370
8-Methoxy-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11517420
5-(4-Propargyl-piperazin-1-ylmethyl)-8-hydroxyquinolinyldimethylcarbamate
CID 44189928
N-[[5-[2-(4-benzylpiperidin-1-yl)ethoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine
CID 53390336
9-N-ethyl-8-ethoxy-manzamine A
CID 23643537
13-Methyl-6,16-bis(2-piperidin-1-ylethoxy)-10,20-diazapentacyclo[10.8.0.02,10.04,9.014,19]icosa-1(12),2,4(9),5,7,13,15,17,19-nonaene
CID 10256279
(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-[(7-phenylmethoxy-1H-indol-2-yl)methylamino]piperidin-1-yl]ethanol
CID 44535667
4-[[5-[3-(1-Benzylpiperidin-4-yl)propoxy]-1-methylindol-2-yl]methyl]morpholine
CID 76311136
6-Methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 90668364
8-Methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 90668366

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-[1-[(8-methoxyquinolin-5-yl)methyl]piperidin-4-yl]propoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine?
The IUPAC name of N-[[5-[3-[1-[(8-methoxyquinolin-5-yl)methyl]piperidin-4-yl]propoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine (CID 118730198) is N-[[5-[3-[1-[(8-methoxyquinolin-5-yl)methyl]piperidin-4-yl]propoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine.
What is the SMILES notation for N-[[5-[3-[1-[(8-methoxyquinolin-5-yl)methyl]piperidin-4-yl]propoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine?
The canonical SMILES for N-[[5-[3-[1-[(8-methoxyquinolin-5-yl)methyl]piperidin-4-yl]propoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine is C#CCN(C)Cc1cc2cc(OCCCC3CCN(Cc4ccc(OC)c5ncccc45)CC3)ccc2n1C.
What is the InChIKey of N-[[5-[3-[1-[(8-methoxyquinolin-5-yl)methyl]piperidin-4-yl]propoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine?
The InChIKey is KAMCYDVYIMMVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4O2/c1-5-17-35(2)24-28-21-27-22-29(11-12-31(27)36(28)3)39-20-7-8-25-14-18-37(19-15-25)23-26-10-13-32(38-4)33-30(26)9-6-16-34-33/h1,6,9-13,16,21-22,25H,7-8,14-15,17-20,23-24H2,2-4H3.
What are the key properties of N-[[5-[3-[1-[(8-methoxyquinolin-5-yl)methyl]piperidin-4-yl]propoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine?
N-[[5-[3-[1-[(8-methoxyquinolin-5-yl)methyl]piperidin-4-yl]propoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine has a molecular weight of 524.71 g/mol, XLogP of 5.87, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-[1-[(8-methoxyquinolin-5-yl)methyl]piperidin-4-yl]propoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine is sourced from PubChem (CID 118730198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).