3-(dipropylcarbamoyl)-5-quinolin-8-ylbenzoic acid

C23H24N2O3 — CID 21085789

IUPAC3-(dipropylcarbamoyl)-5-quinolin-8-ylbenzoic acid
SMILESCCCN(CCC)C(=O)c1cc(C(=O)O)cc(-c2cccc3cccnc23)c1
InChIInChI=1S/C23H24N2O3/c1-3-11-25(12-4-2)22(26)18-13-17(14-19(15-18)23(27)28)20-9-5-7-16-8-6-10-24-21(16)20/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,27,28)
InChIKeyMPQNGGMOHQCXSF-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.86
Rot. Bonds7

About 3-(dipropylcarbamoyl)-5-quinolin-8-ylbenzoic acid

3-(dipropylcarbamoyl)-5-quinolin-8-ylbenzoic acid (PubChem CID 21085789) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(dipropylcarbamoyl)-5-quinolin-8-ylbenzoic acid.

Molecular Properties

Compound Name3-(dipropylcarbamoyl)-5-quinolin-8-ylbenzoic acid
PubChem CID21085789
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name3-(dipropylcarbamoyl)-5-quinolin-8-ylbenzoic acid
SMILESCCCN(CCC)C(=O)c1cc(C(=O)O)cc(-c2cccc3cccnc23)c1
InChIInChI=1S/C23H24N2O3/c1-3-11-25(12-4-2)22(26)18-13-17(14-19(15-18)23(27)28)20-9-5-7-16-8-6-10-24-21(16)20/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,27,28)
InChIKeyMPQNGGMOHQCXSF-UHFFFAOYSA-N
XLogP4.86
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-N-propylquinoline-8-carboxamide
CID 80660904
N,N-dipropyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109240993
N-(3-aminopropyl)-N-propylquinoline-8-carboxamide
CID 62849856
3-(cyclopropylsulfamoyl)-5-quinolin-8-ylbenzoic acid
CID 56881302
methyl 3-quinolin-8-ylbenzoate
CID 4189037
3-N,3-N-dipropyl-5-pyridin-3-ylbenzene-1,3-dicarboxamide
CID 21086057
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
5-methyl-4-quinolin-8-yl-1H-pyrrole-2-carboxylic acid
CID 122568161
8-pyridin-3-ylquinoline-6-carboxylic acid
CID 156718043
3-(dipropylcarbamoyl)-5-formamidobenzoic acid
CID 87977943
3-(3-quinolin-8-ylphenyl)butanoic acid
CID 82543049
tris(benzene-1,2,4,5-tetracarboxylic acid);tetrakis(1,10-phenanthroline)
CID 71445169

Frequently Asked Questions

What is the IUPAC name of 3-(dipropylcarbamoyl)-5-quinolin-8-ylbenzoic acid?
The IUPAC name of 3-(dipropylcarbamoyl)-5-quinolin-8-ylbenzoic acid (CID 21085789) is 3-(dipropylcarbamoyl)-5-quinolin-8-ylbenzoic acid.
What is the SMILES notation for 3-(dipropylcarbamoyl)-5-quinolin-8-ylbenzoic acid?
The canonical SMILES for 3-(dipropylcarbamoyl)-5-quinolin-8-ylbenzoic acid is CCCN(CCC)C(=O)c1cc(C(=O)O)cc(-c2cccc3cccnc23)c1.
What is the InChIKey of 3-(dipropylcarbamoyl)-5-quinolin-8-ylbenzoic acid?
The InChIKey is MPQNGGMOHQCXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-3-11-25(12-4-2)22(26)18-13-17(14-19(15-18)23(27)28)20-9-5-7-16-8-6-10-24-21(16)20/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,27,28).
What are the key properties of 3-(dipropylcarbamoyl)-5-quinolin-8-ylbenzoic acid?
3-(dipropylcarbamoyl)-5-quinolin-8-ylbenzoic acid has a molecular weight of 376.46 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylcarbamoyl)-5-quinolin-8-ylbenzoic acid is sourced from PubChem (CID 21085789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).