methyl 2-[(6-chloro-2-pyridin-3-ylquinoline-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate;hydrochloride

C23H19Cl2N3O3S — CID 2965387

IUPACmethyl 2-[(6-chloro-2-pyridin-3-ylquinoline-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate;hydrochloride
SMILESCOC(=O)c1c(NC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc23)sc(C)c1C.Cl
InChIInChI=1S/C23H18ClN3O3S.ClH/c1-12-13(2)31-22(20(12)23(29)30-3)27-21(28)17-10-19(14-5-4-8-25-11-14)26-18-7-6-15(24)9-16(17)18;/h4-11H,1-3H3,(H,27,28);1H
InChIKeyGBFJXHJRLNAZMH-UHFFFAOYSA-N
MW488.40 g/mol
LogP6.09
Rot. Bonds4

About methyl 2-[(6-chloro-2-pyridin-3-ylquinoline-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate;hydrochloride

methyl 2-[(6-chloro-2-pyridin-3-ylquinoline-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate;hydrochloride (PubChem CID 2965387) has the molecular formula C23H19Cl2N3O3S and a molecular weight of 488.40 g/mol. Its IUPAC name is methyl 2-[(6-chloro-2-pyridin-3-ylquinoline-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(6-chloro-2-pyridin-3-ylquinoline-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate;hydrochloride
PubChem CID2965387
Molecular FormulaC23H19Cl2N3O3S
Molecular Weight488.40 g/mol
Exact Mass487.05
IUPAC Namemethyl 2-[(6-chloro-2-pyridin-3-ylquinoline-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate;hydrochloride
SMILESCOC(=O)c1c(NC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc23)sc(C)c1C.Cl
InChIInChI=1S/C23H18ClN3O3S.ClH/c1-12-13(2)31-22(20(12)23(29)30-3)27-21(28)17-10-19(14-5-4-8-25-11-14)26-18-7-6-15(24)9-16(17)18;/h4-11H,1-3H3,(H,27,28);1H
InChIKeyGBFJXHJRLNAZMH-UHFFFAOYSA-N
XLogP6.09
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.40
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(6-chloro-2-pyridin-3-ylquinoline-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate;hydrochloride with MolForge

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Related Compounds

ethyl 4,5-dimethyl-2-[(6-methyl-2-phenylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
CID 3165783
6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 1261484
6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25179905
6-chloro-N-[4-(methylsulfamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2965443
propan-2-yl 2-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 4075569
6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798226
N-(2-adamantyl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide
CID 1261284
ethyl 2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 4150303
6-chloro-N-morpholin-4-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 1261356
methyl 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]-4-phenylthiophene-3-carboxylate
CID 3569669
6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 2965508
methyl 4,5-dimethyl-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate
CID 43981345

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-chloro-2-pyridin-3-ylquinoline-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate;hydrochloride?
The IUPAC name of methyl 2-[(6-chloro-2-pyridin-3-ylquinoline-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate;hydrochloride (CID 2965387) is methyl 2-[(6-chloro-2-pyridin-3-ylquinoline-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-[(6-chloro-2-pyridin-3-ylquinoline-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-[(6-chloro-2-pyridin-3-ylquinoline-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate;hydrochloride is COC(=O)c1c(NC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc23)sc(C)c1C.Cl.
What is the InChIKey of methyl 2-[(6-chloro-2-pyridin-3-ylquinoline-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate;hydrochloride?
The InChIKey is GBFJXHJRLNAZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3S.ClH/c1-12-13(2)31-22(20(12)23(29)30-3)27-21(28)17-10-19(14-5-4-8-25-11-14)26-18-7-6-15(24)9-16(17)18;/h4-11H,1-3H3,(H,27,28);1H.
What are the key properties of methyl 2-[(6-chloro-2-pyridin-3-ylquinoline-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate;hydrochloride?
methyl 2-[(6-chloro-2-pyridin-3-ylquinoline-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate;hydrochloride has a molecular weight of 488.40 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-chloro-2-pyridin-3-ylquinoline-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate;hydrochloride is sourced from PubChem (CID 2965387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).