6-chloro-4-[[2-(dipropylamino)-2-oxoethyl]amino]quinoline-3-carboxylic acid

C18H22ClN3O3 — CID 21283433

IUPAC6-chloro-4-[[2-(dipropylamino)-2-oxoethyl]amino]quinoline-3-carboxylic acid
SMILESCCCN(CCC)C(=O)CNc1c(C(=O)O)cnc2ccc(Cl)cc12
InChIInChI=1S/C18H22ClN3O3/c1-3-7-22(8-4-2)16(23)11-21-17-13-9-12(19)5-6-15(13)20-10-14(17)18(24)25/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,20,21)(H,24,25)
InChIKeyKYZGTASGVMVYHZ-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.65
Rot. Bonds8

About 6-chloro-4-[[2-(dipropylamino)-2-oxoethyl]amino]quinoline-3-carboxylic acid

6-chloro-4-[[2-(dipropylamino)-2-oxoethyl]amino]quinoline-3-carboxylic acid (PubChem CID 21283433) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is 6-chloro-4-[[2-(dipropylamino)-2-oxoethyl]amino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-[[2-(dipropylamino)-2-oxoethyl]amino]quinoline-3-carboxylic acid
PubChem CID21283433
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name6-chloro-4-[[2-(dipropylamino)-2-oxoethyl]amino]quinoline-3-carboxylic acid
SMILESCCCN(CCC)C(=O)CNc1c(C(=O)O)cnc2ccc(Cl)cc12
InChIInChI=1S/C18H22ClN3O3/c1-3-7-22(8-4-2)16(23)11-21-17-13-9-12(19)5-6-15(13)20-10-14(17)18(24)25/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,20,21)(H,24,25)
InChIKeyKYZGTASGVMVYHZ-UHFFFAOYSA-N
XLogP3.65
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylic acid;hydrochloride
CID 20982491
6-chloro-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid;hydrochloride
CID 20982489
2-(3-chloroanilino)-N,N-dipropylacetamide
CID 39367463
ethyl 6-chloro-4-(2-phenylhydrazinyl)quinoline-3-carboxylate
CID 17016638
[6-chloro-4-[(4-ethylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825088
[6-chloro-4-[(3-ethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53333938
ethyl 4-(4-aminoanilino)-6-chloroquinoline-3-carboxylate
CID 66715427
2-[[3-carboxy-6-(dimethylamino)quinolin-4-yl]amino]ethyl-dimethylazanium
CID 7719246
4,6-dichloroquinoline-3-carboxamide
CID 19827987
1-(6-chloro-4-methylquinolin-3-yl)ethanone
CID 175943366
4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid
CID 113464690
6-(dimethylamino)-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid
CID 7719227

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[[2-(dipropylamino)-2-oxoethyl]amino]quinoline-3-carboxylic acid?
The IUPAC name of 6-chloro-4-[[2-(dipropylamino)-2-oxoethyl]amino]quinoline-3-carboxylic acid (CID 21283433) is 6-chloro-4-[[2-(dipropylamino)-2-oxoethyl]amino]quinoline-3-carboxylic acid.
What is the SMILES notation for 6-chloro-4-[[2-(dipropylamino)-2-oxoethyl]amino]quinoline-3-carboxylic acid?
The canonical SMILES for 6-chloro-4-[[2-(dipropylamino)-2-oxoethyl]amino]quinoline-3-carboxylic acid is CCCN(CCC)C(=O)CNc1c(C(=O)O)cnc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-4-[[2-(dipropylamino)-2-oxoethyl]amino]quinoline-3-carboxylic acid?
The InChIKey is KYZGTASGVMVYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-3-7-22(8-4-2)16(23)11-21-17-13-9-12(19)5-6-15(13)20-10-14(17)18(24)25/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,20,21)(H,24,25).
What are the key properties of 6-chloro-4-[[2-(dipropylamino)-2-oxoethyl]amino]quinoline-3-carboxylic acid?
6-chloro-4-[[2-(dipropylamino)-2-oxoethyl]amino]quinoline-3-carboxylic acid has a molecular weight of 363.85 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[[2-(dipropylamino)-2-oxoethyl]amino]quinoline-3-carboxylic acid is sourced from PubChem (CID 21283433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).