N-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide

C26H35N5O2 — CID 146398902

IUPACN-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide
SMILESCN(C[C@H]1Cc2c(cccc2NC(=O)CN2CCOCC2)CN1)[C@H]1CCCc2cccnc21
InChIInChI=1S/C26H35N5O2/c1-30(24-9-3-5-19-7-4-10-27-26(19)24)17-21-15-22-20(16-28-21)6-2-8-23(22)29-25(32)18-31-11-13-33-14-12-31/h2,4,6-8,10,21,24,28H,3,5,9,11-18H2,1H3,(H,29,32)/t21-,24+/m1/s1
InChIKeyGQRUTZFUQWILPX-QPPBQGQZSA-N
MW449.60 g/mol
LogP2.38
Rot. Bonds6

About N-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide

N-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide (PubChem CID 146398902) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide
PubChem CID146398902
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC NameN-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide
SMILESCN(C[C@H]1Cc2c(cccc2NC(=O)CN2CCOCC2)CN1)[C@H]1CCCc2cccnc21
InChIInChI=1S/C26H35N5O2/c1-30(24-9-3-5-19-7-4-10-27-26(19)24)17-21-15-22-20(16-28-21)6-2-8-23(22)29-25(32)18-31-11-13-33-14-12-31/h2,4,6-8,10,21,24,28H,3,5,9,11-18H2,1H3,(H,29,32)/t21-,24+/m1/s1
InChIKeyGQRUTZFUQWILPX-QPPBQGQZSA-N
XLogP2.38
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide (CID 146398902) is N-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide is CN(C[C@H]1Cc2c(cccc2NC(=O)CN2CCOCC2)CN1)[C@H]1CCCc2cccnc21.
What is the InChIKey of N-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide?
The InChIKey is GQRUTZFUQWILPX-QPPBQGQZSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-30(24-9-3-5-19-7-4-10-27-26(19)24)17-21-15-22-20(16-28-21)6-2-8-23(22)29-25(32)18-31-11-13-33-14-12-31/h2,4,6-8,10,21,24,28H,3,5,9,11-18H2,1H3,(H,29,32)/t21-,24+/m1/s1.
What are the key properties of N-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide?
N-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide has a molecular weight of 449.60 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 146398902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).