N,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-6-yl]oxamide

C38H54N8O2 — CID 10394542

IUPACN,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-6-yl]oxamide
SMILESCCN(CC)CCCC(C)Nc1ccnc2ccc(NC(=O)C(=O)Nc3ccc4nccc(NC(C)CCCN(CC)CC)c4c3)cc12
InChIInChI=1S/C38H54N8O2/c1-7-45(8-2)23-11-13-27(5)41-35-19-21-39-33-17-15-29(25-31(33)35)43-37(47)38(48)44-30-16-18-34-32(26-30)36(20-22-40-34)42-28(6)14-12-24-46(9-3)10-4/h15-22,25-28H,7-14,23-24H2,1-6H3,(H,39,41)(H,40,42)(H,43,47)(H,44,48)
InChIKeyBJAHSSRTDMJHKT-UHFFFAOYSA-N
MW654.90 g/mol
LogP7.20
Rot. Bonds18

About N,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-6-yl]oxamide

N,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-6-yl]oxamide (PubChem CID 10394542) 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-6-yl]oxamide.

Molecular Properties

Compound NameN,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-6-yl]oxamide
PubChem CID10394542
Molecular FormulaC38H54N8O2
Molecular Weight654.90 g/mol
Exact Mass654.44
IUPAC NameN,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-6-yl]oxamide
SMILESCCN(CC)CCCC(C)Nc1ccnc2ccc(NC(=O)C(=O)Nc3ccc4nccc(NC(C)CCCN(CC)CC)c4c3)cc12
InChIInChI=1S/C38H54N8O2/c1-7-45(8-2)23-11-13-27(5)41-35-19-21-39-33-17-15-29(25-31(33)35)43-37(47)38(48)44-30-16-18-34-32(26-30)36(20-22-40-34)42-28(6)14-12-24-46(9-3)10-4/h15-22,25-28H,7-14,23-24H2,1-6H3,(H,39,41)(H,40,42)(H,43,47)(H,44,48)
InChIKeyBJAHSSRTDMJHKT-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-6-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

Related Compounds

1,3-Di-6-quinolylurea
CID 68281
Ucl1848
CID 9811445
ucl-1848 trifluoroacetate salt
CID 10372090
Tacrine(8)-4-aminoquinoline
CID 656986
2-(2-methylquinolin-4-ylamino)-N-phenylacetamide
CID 44596230
1,6-Hexanediamine, N,N'-di-4-quinolinyl-
CID 151778
1,8-Octanediamine, N,N'-di-4-quinolinyl-
CID 151780
1,10-Decanediamine, N,N'-di-4-quinolinyl-
CID 151782
[4-(4-Methylpiperazinyl)phenyl]-4-quinolylamine
CID 4567175
(2S)-8-oxo-2-[3-(piperidin-1-yl)propanamido]-N-(quinolin-3-yl)nonanamide
CID 25023792
1-(2-oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-(4-(4-(pyridin-4-yl)piperazin-1-yl)phenyl)urea
CID 9894973
(R)-1-(2-oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-(4-(4-(pyridin-4-yl)piperazin-1-yl)phenyl)urea
CID 10031511

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-6-yl]oxamide?
The IUPAC name of N,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-6-yl]oxamide (CID 10394542) is N,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-6-yl]oxamide.
What is the SMILES notation for N,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-6-yl]oxamide?
The canonical SMILES for N,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-6-yl]oxamide is CCN(CC)CCCC(C)Nc1ccnc2ccc(NC(=O)C(=O)Nc3ccc4nccc(NC(C)CCCN(CC)CC)c4c3)cc12.
What is the InChIKey of N,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-6-yl]oxamide?
The InChIKey is BJAHSSRTDMJHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H54N8O2/c1-7-45(8-2)23-11-13-27(5)41-35-19-21-39-33-17-15-29(25-31(33)35)43-37(47)38(48)44-30-16-18-34-32(26-30)36(20-22-40-34)42-28(6)14-12-24-46(9-3)10-4/h15-22,25-28H,7-14,23-24H2,1-6H3,(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-6-yl]oxamide?
N,N'-bis[4-[5-(diethylamino)pentan-2-ylamino]quinolin-6-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-6-yl]oxamide is sourced from PubChem (CID 10394542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).