2-methyl-4-(2-morpholin-4-ylanilino)quinoline-8-carboxylate

C21H20N3O3- — CID 7138180

IUPAC2-methyl-4-(2-morpholin-4-ylanilino)quinoline-8-carboxylate
SMILESCc1cc(Nc2ccccc2N2CCOCC2)c2cccc(C(=O)[O-])c2n1
InChIInChI=1S/C21H21N3O3/c1-14-13-18(15-5-4-6-16(21(25)26)20(15)22-14)23-17-7-2-3-8-19(17)24-9-11-27-12-10-24/h2-8,13H,9-12H2,1H3,(H,22,23)(H,25,26)/p-1
InChIKeyBJATVDXUUAUMBS-UHFFFAOYSA-M
MW362.41 g/mol
LogP2.49
Rot. Bonds4

About 2-methyl-4-(2-morpholin-4-ylanilino)quinoline-8-carboxylate

2-methyl-4-(2-morpholin-4-ylanilino)quinoline-8-carboxylate (PubChem CID 7138180) has the molecular formula C21H20N3O3- and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-methyl-4-(2-morpholin-4-ylanilino)quinoline-8-carboxylate.

Molecular Properties

Compound Name2-methyl-4-(2-morpholin-4-ylanilino)quinoline-8-carboxylate
PubChem CID7138180
Molecular FormulaC21H20N3O3-
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name2-methyl-4-(2-morpholin-4-ylanilino)quinoline-8-carboxylate
SMILESCc1cc(Nc2ccccc2N2CCOCC2)c2cccc(C(=O)[O-])c2n1
InChIInChI=1S/C21H21N3O3/c1-14-13-18(15-5-4-6-16(21(25)26)20(15)22-14)23-17-7-2-3-8-19(17)24-9-11-27-12-10-24/h2-8,13H,9-12H2,1H3,(H,22,23)(H,25,26)/p-1
InChIKeyBJATVDXUUAUMBS-UHFFFAOYSA-M
XLogP2.49
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-morpholin-4-ylbenzoate
CID 7148425
4-anilino-8-morpholin-4-ylquinoline-3-carboxylate
CID 7719257
4-(4-hydroxyanilino)-2-methylquinoline-8-carboxylic acid
CID 7138171
4-(2,8-dimethylquinolin-4-yl)morpholine
CID 71424846
4-methyl-N-(2-morpholin-4-ylphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909374
[2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365637
N-[(3,4-dichlorophenyl)methyl]-2-methyl-8-morpholin-4-ylquinolin-4-amine
CID 25217464
1-(8-carboxy-2-methylquinolin-4-yl)piperidine-4-carboxylate
CID 7138134
N-[4-[4-[(2-methyl-8-piperidin-1-ylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide
CID 137376661
6-methyl-4-N-(2-morpholin-4-ylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112907068
4-N-cyclopropyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112907508
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-methyl-8-nitroquinolin-4-amine
CID 133436805

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-morpholin-4-ylanilino)quinoline-8-carboxylate?
The IUPAC name of 2-methyl-4-(2-morpholin-4-ylanilino)quinoline-8-carboxylate (CID 7138180) is 2-methyl-4-(2-morpholin-4-ylanilino)quinoline-8-carboxylate.
What is the SMILES notation for 2-methyl-4-(2-morpholin-4-ylanilino)quinoline-8-carboxylate?
The canonical SMILES for 2-methyl-4-(2-morpholin-4-ylanilino)quinoline-8-carboxylate is Cc1cc(Nc2ccccc2N2CCOCC2)c2cccc(C(=O)[O-])c2n1.
What is the InChIKey of 2-methyl-4-(2-morpholin-4-ylanilino)quinoline-8-carboxylate?
The InChIKey is BJATVDXUUAUMBS-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H21N3O3/c1-14-13-18(15-5-4-6-16(21(25)26)20(15)22-14)23-17-7-2-3-8-19(17)24-9-11-27-12-10-24/h2-8,13H,9-12H2,1H3,(H,22,23)(H,25,26)/p-1.
What are the key properties of 2-methyl-4-(2-morpholin-4-ylanilino)quinoline-8-carboxylate?
2-methyl-4-(2-morpholin-4-ylanilino)quinoline-8-carboxylate has a molecular weight of 362.41 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-morpholin-4-ylanilino)quinoline-8-carboxylate is sourced from PubChem (CID 7138180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).