(5S)-5-[8-[[(5S)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl]amino]octylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one

C30H46N4O2 — CID 101053474

IUPAC(5S)-5-[8-[[(5S)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl]amino]octylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one
SMILESCC1(C)Cc2[nH]c(=O)ccc2[C@@H](NCCCCCCCCN[C@H]2CC(C)(C)Cc3[nH]c(=O)ccc32)C1
InChIInChI=1S/C30H46N4O2/c1-29(2)17-23(21-11-13-27(35)33-25(21)19-29)31-15-9-7-5-6-8-10-16-32-24-18-30(3,4)20-26-22(24)12-14-28(36)34-26/h11-14,23-24,31-32H,5-10,15-20H2,1-4H3,(H,33,35)(H,34,36)/t23-,24-/m0/s1
InChIKeyKAMWMSGUVVBPQB-ZEQRLZLVSA-N
MW494.72 g/mol
LogP5.31
Rot. Bonds11

About (5S)-5-[8-[[(5S)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl]amino]octylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one

(5S)-5-[8-[[(5S)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl]amino]octylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one (PubChem CID 101053474) has the molecular formula C30H46N4O2 and a molecular weight of 494.72 g/mol. Its IUPAC name is (5S)-5-[8-[[(5S)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl]amino]octylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name(5S)-5-[8-[[(5S)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl]amino]octylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one
PubChem CID101053474
Molecular FormulaC30H46N4O2
Molecular Weight494.72 g/mol
Exact Mass494.36
IUPAC Name(5S)-5-[8-[[(5S)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl]amino]octylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one
SMILESCC1(C)Cc2[nH]c(=O)ccc2[C@@H](NCCCCCCCCN[C@H]2CC(C)(C)Cc3[nH]c(=O)ccc32)C1
InChIInChI=1S/C30H46N4O2/c1-29(2)17-23(21-11-13-27(35)33-25(21)19-29)31-15-9-7-5-6-8-10-16-32-24-18-30(3,4)20-26-22(24)12-14-28(36)34-26/h11-14,23-24,31-32H,5-10,15-20H2,1-4H3,(H,33,35)(H,34,36)/t23-,24-/m0/s1
InChIKeyKAMWMSGUVVBPQB-ZEQRLZLVSA-N
XLogP5.31
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.72
LogP ≤ 55.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-5-[8-[[(5S)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl]amino]octylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[8-[[(5S)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl]amino]octylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one?
The IUPAC name of (5S)-5-[8-[[(5S)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl]amino]octylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one (CID 101053474) is (5S)-5-[8-[[(5S)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl]amino]octylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one.
What is the SMILES notation for (5S)-5-[8-[[(5S)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl]amino]octylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one?
The canonical SMILES for (5S)-5-[8-[[(5S)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl]amino]octylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one is CC1(C)Cc2[nH]c(=O)ccc2[C@@H](NCCCCCCCCN[C@H]2CC(C)(C)Cc3[nH]c(=O)ccc32)C1.
What is the InChIKey of (5S)-5-[8-[[(5S)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl]amino]octylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one?
The InChIKey is KAMWMSGUVVBPQB-ZEQRLZLVSA-N. The full InChI is InChI=1S/C30H46N4O2/c1-29(2)17-23(21-11-13-27(35)33-25(21)19-29)31-15-9-7-5-6-8-10-16-32-24-18-30(3,4)20-26-22(24)12-14-28(36)34-26/h11-14,23-24,31-32H,5-10,15-20H2,1-4H3,(H,33,35)(H,34,36)/t23-,24-/m0/s1.
What are the key properties of (5S)-5-[8-[[(5S)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl]amino]octylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one?
(5S)-5-[8-[[(5S)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl]amino]octylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one has a molecular weight of 494.72 g/mol, XLogP of 5.31, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[8-[[(5S)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl]amino]octylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 101053474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).