7-chloro-4-[4-(dimethylamino)anilino]-8-methylquinoline-3-carboxylate

C19H17ClN3O2- — CID 2241668

IUPAC7-chloro-4-[4-(dimethylamino)anilino]-8-methylquinoline-3-carboxylate
SMILESCc1c(Cl)ccc2c(Nc3ccc(N(C)C)cc3)c(C(=O)[O-])cnc12
InChIInChI=1S/C19H18ClN3O2/c1-11-16(20)9-8-14-17(11)21-10-15(19(24)25)18(14)22-12-4-6-13(7-5-12)23(2)3/h4-10H,1-3H3,(H,21,22)(H,24,25)/p-1
InChIKeyWGGLDFMZAQKPKT-UHFFFAOYSA-M
MW354.82 g/mol
LogP3.37
Rot. Bonds4

About 7-chloro-4-[4-(dimethylamino)anilino]-8-methylquinoline-3-carboxylate

7-chloro-4-[4-(dimethylamino)anilino]-8-methylquinoline-3-carboxylate (PubChem CID 2241668) has the molecular formula C19H17ClN3O2- and a molecular weight of 354.82 g/mol. Its IUPAC name is 7-chloro-4-[4-(dimethylamino)anilino]-8-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name7-chloro-4-[4-(dimethylamino)anilino]-8-methylquinoline-3-carboxylate
PubChem CID2241668
Molecular FormulaC19H17ClN3O2-
Molecular Weight354.82 g/mol
Exact Mass354.10
IUPAC Name7-chloro-4-[4-(dimethylamino)anilino]-8-methylquinoline-3-carboxylate
SMILESCc1c(Cl)ccc2c(Nc3ccc(N(C)C)cc3)c(C(=O)[O-])cnc12
InChIInChI=1S/C19H18ClN3O2/c1-11-16(20)9-8-14-17(11)21-10-15(19(24)25)18(14)22-12-4-6-13(7-5-12)23(2)3/h4-10H,1-3H3,(H,21,22)(H,24,25)/p-1
InChIKeyWGGLDFMZAQKPKT-UHFFFAOYSA-M
XLogP3.37
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate
CID 54721977
7-chloro-4-(2-ethylanilino)-8-methylquinoline-3-carboxylate
CID 2241646
ethyl 7-chloro-4-(4-ethoxyanilino)-8-methylquinoline-3-carboxylate
CID 1183948
ethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate
CID 1183946
7-chloro-8-methyl-4-(2-propoxyanilino)quinoline-3-carboxylate
CID 7137814
3-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate
CID 54678751
6-chloro-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid;hydrochloride
CID 20982489
6-(dimethylamino)-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid
CID 7719227
4-[4-(dimethylamino)anilino]quinoline-3,6-dicarboxylic acid;hydrochloride
CID 22694130
7-chloro-4-(3-hydroxypropylamino)-8-methylquinoline-3-carboxylic acid
CID 7137819
ethyl 4-(4-acetamidoanilino)-7,8-dimethylquinoline-3-carboxylate
CID 2956986
4-[(7-chloro-8-methylquinolin-4-yl)amino]benzoic acid
CID 53269521

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[4-(dimethylamino)anilino]-8-methylquinoline-3-carboxylate?
The IUPAC name of 7-chloro-4-[4-(dimethylamino)anilino]-8-methylquinoline-3-carboxylate (CID 2241668) is 7-chloro-4-[4-(dimethylamino)anilino]-8-methylquinoline-3-carboxylate.
What is the SMILES notation for 7-chloro-4-[4-(dimethylamino)anilino]-8-methylquinoline-3-carboxylate?
The canonical SMILES for 7-chloro-4-[4-(dimethylamino)anilino]-8-methylquinoline-3-carboxylate is Cc1c(Cl)ccc2c(Nc3ccc(N(C)C)cc3)c(C(=O)[O-])cnc12.
What is the InChIKey of 7-chloro-4-[4-(dimethylamino)anilino]-8-methylquinoline-3-carboxylate?
The InChIKey is WGGLDFMZAQKPKT-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H18ClN3O2/c1-11-16(20)9-8-14-17(11)21-10-15(19(24)25)18(14)22-12-4-6-13(7-5-12)23(2)3/h4-10H,1-3H3,(H,21,22)(H,24,25)/p-1.
What are the key properties of 7-chloro-4-[4-(dimethylamino)anilino]-8-methylquinoline-3-carboxylate?
7-chloro-4-[4-(dimethylamino)anilino]-8-methylquinoline-3-carboxylate has a molecular weight of 354.82 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[4-(dimethylamino)anilino]-8-methylquinoline-3-carboxylate is sourced from PubChem (CID 2241668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).