N-[3-(3H-indol-3-yl)propyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C34H37N5 — CID 23544332

IUPACN-[3-(3H-indol-3-yl)propyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESC1=Nc2ccccc2C1CCCN(Cc1ccc(CNCc2ccccn2)cc1)C1CCCc2cccnc21
InChIInChI=1S/C34H37N5/c1-2-13-32-31(12-1)29(23-38-32)10-7-21-39(33-14-5-8-28-9-6-20-37-34(28)33)25-27-17-15-26(16-18-27)22-35-24-30-11-3-4-19-36-30/h1-4,6,9,11-13,15-20,23,29,33,35H,5,7-8,10,14,21-22,24-25H2
InChIKeyBZLCXAIFOIPIGT-UHFFFAOYSA-N
MW515.71 g/mol
LogP6.93
Rot. Bonds11

About N-[3-(3H-indol-3-yl)propyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-[3-(3H-indol-3-yl)propyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 23544332) has the molecular formula C34H37N5 and a molecular weight of 515.71 g/mol. Its IUPAC name is N-[3-(3H-indol-3-yl)propyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[3-(3H-indol-3-yl)propyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID23544332
Molecular FormulaC34H37N5
Molecular Weight515.71 g/mol
Exact Mass515.30
IUPAC NameN-[3-(3H-indol-3-yl)propyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESC1=Nc2ccccc2C1CCCN(Cc1ccc(CNCc2ccccn2)cc1)C1CCCc2cccnc21
InChIInChI=1S/C34H37N5/c1-2-13-32-31(12-1)29(23-38-32)10-7-21-39(33-14-5-8-28-9-6-20-37-34(28)33)25-27-17-15-26(16-18-27)22-35-24-30-11-3-4-19-36-30/h1-4,6,9,11-13,15-20,23,29,33,35H,5,7-8,10,14,21-22,24-25H2
InChIKeyBZLCXAIFOIPIGT-UHFFFAOYSA-N
XLogP6.93
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.71
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3H-indol-3-yl)propyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[3-(3H-indol-3-yl)propyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 23544332) is N-[3-(3H-indol-3-yl)propyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[3-(3H-indol-3-yl)propyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[3-(3H-indol-3-yl)propyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is C1=Nc2ccccc2C1CCCN(Cc1ccc(CNCc2ccccn2)cc1)C1CCCc2cccnc21.
What is the InChIKey of N-[3-(3H-indol-3-yl)propyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is BZLCXAIFOIPIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N5/c1-2-13-32-31(12-1)29(23-38-32)10-7-21-39(33-14-5-8-28-9-6-20-37-34(28)33)25-27-17-15-26(16-18-27)22-35-24-30-11-3-4-19-36-30/h1-4,6,9,11-13,15-20,23,29,33,35H,5,7-8,10,14,21-22,24-25H2.
What are the key properties of N-[3-(3H-indol-3-yl)propyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-[3-(3H-indol-3-yl)propyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 515.71 g/mol, XLogP of 6.93, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3H-indol-3-yl)propyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 23544332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).