N-[(2,7-dimethoxyquinolin-3-yl)methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid

C32H35N3O9 — CID 171669855

IUPACN-[(2,7-dimethoxyquinolin-3-yl)methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESCOc1ccc2cc(CN(CCc3ccccc3)Cc3ccncc3)c(OC)nc2c1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C26H27N3O2.C6H8O7/c1-30-24-9-8-22-16-23(26(31-2)28-25(22)17-24)19-29(18-21-10-13-27-14-11-21)15-12-20-6-4-3-5-7-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11,13-14,16-17H,12,15,18-19H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyGKNNBSPEQXTKPT-UHFFFAOYSA-N
MW605.64 g/mol
LogP3.64
Rot. Bonds14

About N-[(2,7-dimethoxyquinolin-3-yl)methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid

N-[(2,7-dimethoxyquinolin-3-yl)methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 171669855) has the molecular formula C32H35N3O9 and a molecular weight of 605.64 g/mol. Its IUPAC name is N-[(2,7-dimethoxyquinolin-3-yl)methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound NameN-[(2,7-dimethoxyquinolin-3-yl)methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID171669855
Molecular FormulaC32H35N3O9
Molecular Weight605.64 g/mol
Exact Mass605.24
IUPAC NameN-[(2,7-dimethoxyquinolin-3-yl)methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESCOc1ccc2cc(CN(CCc3ccccc3)Cc3ccncc3)c(OC)nc2c1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C26H27N3O2.C6H8O7/c1-30-24-9-8-22-16-23(26(31-2)28-25(22)17-24)19-29(18-21-10-13-27-14-11-21)15-12-20-6-4-3-5-7-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11,13-14,16-17H,12,15,18-19H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyGKNNBSPEQXTKPT-UHFFFAOYSA-N
XLogP3.64
TPSA179.61 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.64
LogP ≤ 53.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[(2,7-dimethoxyquinolin-3-yl)methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171671216
3-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]benzoic acid
CID 82183854
2-[benzyl(2-pyridin-4-ylethyl)amino]ethanol
CID 60649363
3-(3-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)propanamide
CID 60558316
N-benzyl-2-(3-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 55331004
N-benzyl-N-(2-hydroxyethyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78855120
N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
CID 46993097
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 167873021
N-[(4-methoxyphenyl)methyl]-3-methyl-N-(2-phenylethyl)butan-1-amine
CID 175631821
N-benzyl-2,6-dimethoxy-N-(2-phenylethyl)pyridine-3-carboxamide
CID 6624514

Frequently Asked Questions

What is the IUPAC name of N-[(2,7-dimethoxyquinolin-3-yl)methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of N-[(2,7-dimethoxyquinolin-3-yl)methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 171669855) is N-[(2,7-dimethoxyquinolin-3-yl)methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for N-[(2,7-dimethoxyquinolin-3-yl)methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for N-[(2,7-dimethoxyquinolin-3-yl)methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid is COc1ccc2cc(CN(CCc3ccccc3)Cc3ccncc3)c(OC)nc2c1.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of N-[(2,7-dimethoxyquinolin-3-yl)methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is GKNNBSPEQXTKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2.C6H8O7/c1-30-24-9-8-22-16-23(26(31-2)28-25(22)17-24)19-29(18-21-10-13-27-14-11-21)15-12-20-6-4-3-5-7-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11,13-14,16-17H,12,15,18-19H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12).
What are the key properties of N-[(2,7-dimethoxyquinolin-3-yl)methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid?
N-[(2,7-dimethoxyquinolin-3-yl)methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 605.64 g/mol, XLogP of 3.64, 14 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,7-dimethoxyquinolin-3-yl)methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 171669855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).