6-chloro-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid;hydrochloride

C18H17Cl2N3O2 — CID 20982489

IUPAC6-chloro-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid;hydrochloride
SMILESCN(C)c1ccc(Nc2c(C(=O)O)cnc3ccc(Cl)cc23)cc1.Cl
InChIInChI=1S/C18H16ClN3O2.ClH/c1-22(2)13-6-4-12(5-7-13)21-17-14-9-11(19)3-8-16(14)20-10-15(17)18(23)24;/h3-10H,1-2H3,(H,20,21)(H,23,24);1H
InChIKeyJQIOXBBEEOGIEZ-UHFFFAOYSA-N
MW378.26 g/mol
LogP4.82
Rot. Bonds4

About 6-chloro-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid;hydrochloride

6-chloro-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid;hydrochloride (PubChem CID 20982489) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is 6-chloro-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-chloro-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid;hydrochloride
PubChem CID20982489
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC Name6-chloro-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid;hydrochloride
SMILESCN(C)c1ccc(Nc2c(C(=O)O)cnc3ccc(Cl)cc23)cc1.Cl
InChIInChI=1S/C18H16ClN3O2.ClH/c1-22(2)13-6-4-12(5-7-13)21-17-14-9-11(19)3-8-16(14)20-10-15(17)18(23)24;/h3-10H,1-2H3,(H,20,21)(H,23,24);1H
InChIKeyJQIOXBBEEOGIEZ-UHFFFAOYSA-N
XLogP4.82
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-(dimethylamino)-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid
CID 7719227
4-[4-(dimethylamino)anilino]quinoline-3,6-dicarboxylic acid;hydrochloride
CID 22694130
4-(4-chloroanilino)quinoline-3-carboxylic acid
CID 63537972
1-N-(2-chloroacridin-9-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 177371668
6-chloro-4-[[2-(dipropylamino)-2-oxoethyl]amino]quinoline-3-carboxylic acid
CID 21283433
4-(4-methylanilino)-6-(methylcarbamoyl)quinoline-3-carboxylic acid
CID 58173125
[4-(4-bromoanilino)-6-chloroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53001765
ethyl 4-(4-aminoanilino)-6-chloroquinoline-3-carboxylate
CID 66715427
6-chloro-4-[4-(4-methylpiperidin-1-yl)anilino]quinoline-3-carboxylate
CID 7453555
4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid
CID 7137766
2-[[3-carboxy-6-(dimethylamino)quinolin-4-yl]amino]ethyl-dimethylazanium
CID 7719246
4-(3-acetylanilino)quinoline-3,6-dicarboxylic acid
CID 91206035

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid;hydrochloride?
The IUPAC name of 6-chloro-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid;hydrochloride (CID 20982489) is 6-chloro-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-chloro-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid;hydrochloride?
The canonical SMILES for 6-chloro-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid;hydrochloride is CN(C)c1ccc(Nc2c(C(=O)O)cnc3ccc(Cl)cc23)cc1.Cl.
What is the InChIKey of 6-chloro-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid;hydrochloride?
The InChIKey is JQIOXBBEEOGIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2.ClH/c1-22(2)13-6-4-12(5-7-13)21-17-14-9-11(19)3-8-16(14)20-10-15(17)18(23)24;/h3-10H,1-2H3,(H,20,21)(H,23,24);1H.
What are the key properties of 6-chloro-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid;hydrochloride?
6-chloro-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid;hydrochloride has a molecular weight of 378.26 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 20982489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).