N,N'-di(quinolin-6-yl)propanediamide

C21H16N4O2 — CID 2837594

IUPACN,N'-di(quinolin-6-yl)propanediamide
SMILESO=C(CC(=O)Nc1ccc2ncccc2c1)Nc1ccc2ncccc2c1
InChIInChI=1S/C21H16N4O2/c26-20(24-16-5-7-18-14(11-16)3-1-9-22-18)13-21(27)25-17-6-8-19-15(12-17)4-2-10-23-19/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyJGVNKLGBNKLDQA-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.75
Rot. Bonds4

About N,N'-di(quinolin-6-yl)propanediamide

N,N'-di(quinolin-6-yl)propanediamide (PubChem CID 2837594) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N,N'-di(quinolin-6-yl)propanediamide.

Molecular Properties

Compound NameN,N'-di(quinolin-6-yl)propanediamide
PubChem CID2837594
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC NameN,N'-di(quinolin-6-yl)propanediamide
SMILESO=C(CC(=O)Nc1ccc2ncccc2c1)Nc1ccc2ncccc2c1
InChIInChI=1S/C21H16N4O2/c26-20(24-16-5-7-18-14(11-16)3-1-9-22-18)13-21(27)25-17-6-8-19-15(12-17)4-2-10-23-19/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyJGVNKLGBNKLDQA-UHFFFAOYSA-N
XLogP3.75
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-quinolin-6-ylacetamide
CID 3144388
5-chloro-N-quinolin-6-ylpentanamide
CID 55097309
2-(cyclopropylmethylamino)-N-quinolin-6-ylacetamide
CID 62634785
N-quinolin-6-ylbenzamide
CID 833617
(3R)-3-methyl-N'-quinolin-6-ylpentanediamide
CID 173104431
6-amino-4,4-dimethyl-N-quinolin-6-ylhexanamide
CID 65291463
2-amino-2-ethyl-N-quinolin-6-ylbutanamide
CID 79814610
N-(4-methoxyphenyl)-2-quinolin-6-yloxyacetamide
CID 112978693
1-amino-3-quinolin-6-ylthiourea
CID 62635286
2-amino-2-methyl-N-quinolin-6-ylpropanamide
CID 62636163
quinolin-6-ylthiourea
CID 1480925
2-[(4-bromophenyl)sulfonylamino]-N-quinolin-6-ylacetamide
CID 50740354

Frequently Asked Questions

What is the IUPAC name of N,N'-di(quinolin-6-yl)propanediamide?
The IUPAC name of N,N'-di(quinolin-6-yl)propanediamide (CID 2837594) is N,N'-di(quinolin-6-yl)propanediamide.
What is the SMILES notation for N,N'-di(quinolin-6-yl)propanediamide?
The canonical SMILES for N,N'-di(quinolin-6-yl)propanediamide is O=C(CC(=O)Nc1ccc2ncccc2c1)Nc1ccc2ncccc2c1.
What is the InChIKey of N,N'-di(quinolin-6-yl)propanediamide?
The InChIKey is JGVNKLGBNKLDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c26-20(24-16-5-7-18-14(11-16)3-1-9-22-18)13-21(27)25-17-6-8-19-15(12-17)4-2-10-23-19/h1-12H,13H2,(H,24,26)(H,25,27).
What are the key properties of N,N'-di(quinolin-6-yl)propanediamide?
N,N'-di(quinolin-6-yl)propanediamide has a molecular weight of 356.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(quinolin-6-yl)propanediamide is sourced from PubChem (CID 2837594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).