3-(dipropylamino)-N-quinolin-3-ylbenzamide

C22H25N3O — CID 66815676

IUPAC3-(dipropylamino)-N-quinolin-3-ylbenzamide
SMILESCCCN(CCC)c1cccc(C(=O)Nc2cnc3ccccc3c2)c1
InChIInChI=1S/C22H25N3O/c1-3-12-25(13-4-2)20-10-7-9-18(15-20)22(26)24-19-14-17-8-5-6-11-21(17)23-16-19/h5-11,14-16H,3-4,12-13H2,1-2H3,(H,24,26)
InChIKeyNXWMPSJOIYQKHO-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.11
Rot. Bonds7

About 3-(dipropylamino)-N-quinolin-3-ylbenzamide

3-(dipropylamino)-N-quinolin-3-ylbenzamide (PubChem CID 66815676) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-(dipropylamino)-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name3-(dipropylamino)-N-quinolin-3-ylbenzamide
PubChem CID66815676
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name3-(dipropylamino)-N-quinolin-3-ylbenzamide
SMILESCCCN(CCC)c1cccc(C(=O)Nc2cnc3ccccc3c2)c1
InChIInChI=1S/C22H25N3O/c1-3-12-25(13-4-2)20-10-7-9-18(15-20)22(26)24-19-14-17-8-5-6-11-21(17)23-16-19/h5-11,14-16H,3-4,12-13H2,1-2H3,(H,24,26)
InChIKeyNXWMPSJOIYQKHO-UHFFFAOYSA-N
XLogP5.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-quinolin-3-ylbenzamide
CID 3284385
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide
CID 66815675
5-(dipropylamino)-N-phenylpyridine-3-carboxamide
CID 109241022
3-(cyclohexylmethylamino)-N-quinolin-3-ylbenzamide
CID 10451096
3-amino-4-fluoro-N-quinolin-3-ylbenzamide
CID 61111864
4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
4-(methoxymethyl)-N-quinolin-3-ylbenzamide
CID 18153378
6-(methylamino)-N-quinolin-3-ylpyridine-3-carboxamide
CID 62808644
3-[bis(2-hydroxyethyl)amino]-N-phenylbenzamide
CID 54334365
N-(3-acetylphenyl)quinoline-3-carboxamide
CID 110694820
6-chloro-N-quinolin-3-ylpyridine-3-carboxamide
CID 29330391

Frequently Asked Questions

What is the IUPAC name of 3-(dipropylamino)-N-quinolin-3-ylbenzamide?
The IUPAC name of 3-(dipropylamino)-N-quinolin-3-ylbenzamide (CID 66815676) is 3-(dipropylamino)-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 3-(dipropylamino)-N-quinolin-3-ylbenzamide?
The canonical SMILES for 3-(dipropylamino)-N-quinolin-3-ylbenzamide is CCCN(CCC)c1cccc(C(=O)Nc2cnc3ccccc3c2)c1.
What is the InChIKey of 3-(dipropylamino)-N-quinolin-3-ylbenzamide?
The InChIKey is NXWMPSJOIYQKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-3-12-25(13-4-2)20-10-7-9-18(15-20)22(26)24-19-14-17-8-5-6-11-21(17)23-16-19/h5-11,14-16H,3-4,12-13H2,1-2H3,(H,24,26).
What are the key properties of 3-(dipropylamino)-N-quinolin-3-ylbenzamide?
3-(dipropylamino)-N-quinolin-3-ylbenzamide has a molecular weight of 347.46 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 66815676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).