N-[2-[bis[2-[(8-hydroxyquinoline-7-carbonyl)amino]ethyl]amino]ethyl]-8-hydroxyquinoline-7-carboxamide

C36H33N7O6 — CID 15778956

IUPACN-[2-[bis[2-[(8-hydroxyquinoline-7-carbonyl)amino]ethyl]amino]ethyl]-8-hydroxyquinoline-7-carboxamide
SMILESO=C(NCCN(CCNC(=O)c1ccc2cccnc2c1O)CCNC(=O)c1ccc2cccnc2c1O)c1ccc2cccnc2c1O
InChIInChI=1S/C36H33N7O6/c44-31-25(10-7-22-4-1-13-37-28(22)31)34(47)40-16-19-43(20-17-41-35(48)26-11-8-23-5-2-14-38-29(23)32(26)45)21-18-42-36(49)27-12-9-24-6-3-15-39-30(24)33(27)46/h1-15,44-46H,16-21H2,(H,40,47)(H,41,48)(H,42,49)
InChIKeyQONWVKKYAKOALU-UHFFFAOYSA-N
MW659.70 g/mol
LogP3.34
Rot. Bonds12

About N-[2-[bis[2-[(8-hydroxyquinoline-7-carbonyl)amino]ethyl]amino]ethyl]-8-hydroxyquinoline-7-carboxamide

N-[2-[bis[2-[(8-hydroxyquinoline-7-carbonyl)amino]ethyl]amino]ethyl]-8-hydroxyquinoline-7-carboxamide (PubChem CID 15778956) has the molecular formula C36H33N7O6 and a molecular weight of 659.70 g/mol. Its IUPAC name is N-[2-[bis[2-[(8-hydroxyquinoline-7-carbonyl)amino]ethyl]amino]ethyl]-8-hydroxyquinoline-7-carboxamide.

Molecular Properties

Compound NameN-[2-[bis[2-[(8-hydroxyquinoline-7-carbonyl)amino]ethyl]amino]ethyl]-8-hydroxyquinoline-7-carboxamide
PubChem CID15778956
Molecular FormulaC36H33N7O6
Molecular Weight659.70 g/mol
Exact Mass659.25
IUPAC NameN-[2-[bis[2-[(8-hydroxyquinoline-7-carbonyl)amino]ethyl]amino]ethyl]-8-hydroxyquinoline-7-carboxamide
SMILESO=C(NCCN(CCNC(=O)c1ccc2cccnc2c1O)CCNC(=O)c1ccc2cccnc2c1O)c1ccc2cccnc2c1O
InChIInChI=1S/C36H33N7O6/c44-31-25(10-7-22-4-1-13-37-28(22)31)34(47)40-16-19-43(20-17-41-35(48)26-11-8-23-5-2-14-38-29(23)32(26)45)21-18-42-36(49)27-12-9-24-6-3-15-39-30(24)33(27)46/h1-15,44-46H,16-21H2,(H,40,47)(H,41,48)(H,42,49)
InChIKeyQONWVKKYAKOALU-UHFFFAOYSA-N
XLogP3.34
TPSA189.90 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.70
LogP ≤ 53.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze N-[2-[bis[2-[(8-hydroxyquinoline-7-carbonyl)amino]ethyl]amino]ethyl]-8-hydroxyquinoline-7-carboxamide with MolForge

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Related Compounds

N-[(8-hydroxyquinolin-7-yl)(phenyl)methyl]pentanamide
CID 3129244
ML324
CID 44143209
N-[(8-Hydroxy-quinolin-7-yl)-p-tolyl-methyl]-butyramide
CID 3129243
N-[(4-dimethylaminophenyl)-(8-hydroxy-7-quinolyl)methyl]pentanamide
CID 3129247
N-[(8-Hydroxy-quinolin-7-yl)-p-tolyl-methyl]-propionamide
CID 2876744
Anthranilic acid, N-(alpha-(8-hydroxy-7-quinolyl)benzyl)-
CID 95307
4-[[(8-Hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoic acid
CID 219564
(3-Benzylphenyl)(8-hydroxyquinolin-7-yl)methanone
CID 463001
N-[[4-(diethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide
CID 2920952
n-[(8-Hydroxyquinolin-7-yl)(phenyl)methyl]benzamide
CID 2871881
N-[(8-Hydroxyquinolin-7-YL)(4-methylphenyl)methyl]benzamide
CID 2871966
Tcmdc-125551
CID 2876588

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis[2-[(8-hydroxyquinoline-7-carbonyl)amino]ethyl]amino]ethyl]-8-hydroxyquinoline-7-carboxamide?
The IUPAC name of N-[2-[bis[2-[(8-hydroxyquinoline-7-carbonyl)amino]ethyl]amino]ethyl]-8-hydroxyquinoline-7-carboxamide (CID 15778956) is N-[2-[bis[2-[(8-hydroxyquinoline-7-carbonyl)amino]ethyl]amino]ethyl]-8-hydroxyquinoline-7-carboxamide.
What is the SMILES notation for N-[2-[bis[2-[(8-hydroxyquinoline-7-carbonyl)amino]ethyl]amino]ethyl]-8-hydroxyquinoline-7-carboxamide?
The canonical SMILES for N-[2-[bis[2-[(8-hydroxyquinoline-7-carbonyl)amino]ethyl]amino]ethyl]-8-hydroxyquinoline-7-carboxamide is O=C(NCCN(CCNC(=O)c1ccc2cccnc2c1O)CCNC(=O)c1ccc2cccnc2c1O)c1ccc2cccnc2c1O.
What is the InChIKey of N-[2-[bis[2-[(8-hydroxyquinoline-7-carbonyl)amino]ethyl]amino]ethyl]-8-hydroxyquinoline-7-carboxamide?
The InChIKey is QONWVKKYAKOALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33N7O6/c44-31-25(10-7-22-4-1-13-37-28(22)31)34(47)40-16-19-43(20-17-41-35(48)26-11-8-23-5-2-14-38-29(23)32(26)45)21-18-42-36(49)27-12-9-24-6-3-15-39-30(24)33(27)46/h1-15,44-46H,16-21H2,(H,40,47)(H,41,48)(H,42,49).
What are the key properties of N-[2-[bis[2-[(8-hydroxyquinoline-7-carbonyl)amino]ethyl]amino]ethyl]-8-hydroxyquinoline-7-carboxamide?
N-[2-[bis[2-[(8-hydroxyquinoline-7-carbonyl)amino]ethyl]amino]ethyl]-8-hydroxyquinoline-7-carboxamide has a molecular weight of 659.70 g/mol, XLogP of 3.34, 12 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis[2-[(8-hydroxyquinoline-7-carbonyl)amino]ethyl]amino]ethyl]-8-hydroxyquinoline-7-carboxamide is sourced from PubChem (CID 15778956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).