N,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-8-yl]oxamide

C38H54N8O2 — CID 10372124

IUPACN,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-8-yl]oxamide
SMILESCCN(CC)CCCC(C)Nc1ccnc2c(NC(=O)C(=O)Nc3cccc4c(NC(C)CCCN(CC)CC)ccnc34)cccc12
InChIInChI=1S/C38H54N8O2/c1-7-45(8-2)25-13-15-27(5)41-31-21-23-39-35-29(31)17-11-19-33(35)43-37(47)38(48)44-34-20-12-18-30-32(22-24-40-36(30)34)42-28(6)16-14-26-46(9-3)10-4/h11-12,17-24,27-28H,7-10,13-16,25-26H2,1-6H3,(H,39,41)(H,40,42)(H,43,47)(H,44,48)
InChIKeyXRKABRYLYFWQDP-UHFFFAOYSA-N
MW654.90 g/mol
LogP7.20
Rot. Bonds18

About N,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-8-yl]oxamide

N,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-8-yl]oxamide (PubChem CID 10372124) has the molecular formula C38H54N8O2 and a molecular weight of 654.90 g/mol. Its IUPAC name is N,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-8-yl]oxamide.

Molecular Properties

Compound NameN,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-8-yl]oxamide
PubChem CID10372124
Molecular FormulaC38H54N8O2
Molecular Weight654.90 g/mol
Exact Mass654.44
IUPAC NameN,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-8-yl]oxamide
SMILESCCN(CC)CCCC(C)Nc1ccnc2c(NC(=O)C(=O)Nc3cccc4c(NC(C)CCCN(CC)CC)ccnc34)cccc12
InChIInChI=1S/C38H54N8O2/c1-7-45(8-2)25-13-15-27(5)41-31-21-23-39-35-29(31)17-11-19-33(35)43-37(47)38(48)44-34-20-12-18-30-32(22-24-40-36(30)34)42-28(6)16-14-26-46(9-3)10-4/h11-12,17-24,27-28H,7-10,13-16,25-26H2,1-6H3,(H,39,41)(H,40,42)(H,43,47)(H,44,48)
InChIKeyXRKABRYLYFWQDP-UHFFFAOYSA-N
XLogP7.20
TPSA114.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.90
LogP ≤ 57.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-8-yl]oxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-8-yl]oxamide?
The IUPAC name of N,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-8-yl]oxamide (CID 10372124) is N,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-8-yl]oxamide.
What is the SMILES notation for N,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-8-yl]oxamide?
The canonical SMILES for N,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-8-yl]oxamide is CCN(CC)CCCC(C)Nc1ccnc2c(NC(=O)C(=O)Nc3cccc4c(NC(C)CCCN(CC)CC)ccnc34)cccc12.
What is the InChIKey of N,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-8-yl]oxamide?
The InChIKey is XRKABRYLYFWQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H54N8O2/c1-7-45(8-2)25-13-15-27(5)41-31-21-23-39-35-29(31)17-11-19-33(35)43-37(47)38(48)44-34-20-12-18-30-32(22-24-40-36(30)34)42-28(6)16-14-26-46(9-3)10-4/h11-12,17-24,27-28H,7-10,13-16,25-26H2,1-6H3,(H,39,41)(H,40,42)(H,43,47)(H,44,48).
What are the key properties of N,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-8-yl]oxamide?
N,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-8-yl]oxamide has a molecular weight of 654.90 g/mol, XLogP of 7.20, 18 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-8-yl]oxamide is sourced from PubChem (CID 10372124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).