3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(3-phenylphenyl)methylamino]propan-2-yl]benzamide

C40H32N4O3 — CID 155422524

IUPAC3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(3-phenylphenyl)methylamino]propan-2-yl]benzamide
SMILESO=C(NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(-c2ccccc2)c1)c1cccc(-c2cc(O)c3ncccc3c2)c1
InChIInChI=1S/C40H32N4O3/c45-37-23-32(21-30-15-8-18-41-38(30)37)29-13-7-14-31(20-29)39(46)44-36(22-33-25-42-35-17-5-4-16-34(33)35)40(47)43-24-26-9-6-12-28(19-26)27-10-2-1-3-11-27/h1-21,23,25,36,42,45H,22,24H2,(H,43,47)(H,44,46)
InChIKeyQQQWHQSOPNFTEF-UHFFFAOYSA-N
MW616.72 g/mol
LogP7.41
Rot. Bonds9

About 3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(3-phenylphenyl)methylamino]propan-2-yl]benzamide

3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(3-phenylphenyl)methylamino]propan-2-yl]benzamide (PubChem CID 155422524) has the molecular formula C40H32N4O3 and a molecular weight of 616.72 g/mol. Its IUPAC name is 3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(3-phenylphenyl)methylamino]propan-2-yl]benzamide.

Molecular Properties

Compound Name3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(3-phenylphenyl)methylamino]propan-2-yl]benzamide
PubChem CID155422524
Molecular FormulaC40H32N4O3
Molecular Weight616.72 g/mol
Exact Mass616.25
IUPAC Name3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(3-phenylphenyl)methylamino]propan-2-yl]benzamide
SMILESO=C(NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(-c2ccccc2)c1)c1cccc(-c2cc(O)c3ncccc3c2)c1
InChIInChI=1S/C40H32N4O3/c45-37-23-32(21-30-15-8-18-41-38(30)37)29-13-7-14-31(20-29)39(46)44-36(22-33-25-42-35-17-5-4-16-34(33)35)40(47)43-24-26-9-6-12-28(19-26)27-10-2-1-3-11-27/h1-21,23,25,36,42,45H,22,24H2,(H,43,47)(H,44,46)
InChIKeyQQQWHQSOPNFTEF-UHFFFAOYSA-N
XLogP7.41
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.72
LogP ≤ 57.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(3-phenylphenyl)methylamino]propan-2-yl]benzamide?
The IUPAC name of 3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(3-phenylphenyl)methylamino]propan-2-yl]benzamide (CID 155422524) is 3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(3-phenylphenyl)methylamino]propan-2-yl]benzamide.
What is the SMILES notation for 3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(3-phenylphenyl)methylamino]propan-2-yl]benzamide?
The canonical SMILES for 3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(3-phenylphenyl)methylamino]propan-2-yl]benzamide is O=C(NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(-c2ccccc2)c1)c1cccc(-c2cc(O)c3ncccc3c2)c1.
What is the InChIKey of 3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(3-phenylphenyl)methylamino]propan-2-yl]benzamide?
The InChIKey is QQQWHQSOPNFTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N4O3/c45-37-23-32(21-30-15-8-18-41-38(30)37)29-13-7-14-31(20-29)39(46)44-36(22-33-25-42-35-17-5-4-16-34(33)35)40(47)43-24-26-9-6-12-28(19-26)27-10-2-1-3-11-27/h1-21,23,25,36,42,45H,22,24H2,(H,43,47)(H,44,46).
What are the key properties of 3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(3-phenylphenyl)methylamino]propan-2-yl]benzamide?
3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(3-phenylphenyl)methylamino]propan-2-yl]benzamide has a molecular weight of 616.72 g/mol, XLogP of 7.41, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(3-phenylphenyl)methylamino]propan-2-yl]benzamide is sourced from PubChem (CID 155422524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).