6,7-dimethoxy-4-methylquinoline;2-(4-methylanilino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide

C30H31N5O3S — CID 143709247

IUPAC6,7-dimethoxy-4-methylquinoline;2-(4-methylanilino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESCOc1cc2nccc(C)c2cc1OC.Cc1ccc(Nc2ncccc2C(=O)NC(C)c2nccs2)cc1
InChIInChI=1S/C18H18N4OS.C12H13NO2/c1-12-5-7-14(8-6-12)22-16-15(4-3-9-19-16)17(23)21-13(2)18-20-10-11-24-18;1-8-4-5-13-10-7-12(15-3)11(14-2)6-9(8)10/h3-11,13H,1-2H3,(H,19,22)(H,21,23);4-7H,1-3H3
InChIKeyZZSYJYZPQMVPMD-UHFFFAOYSA-N
MW541.68 g/mol
LogP6.64
Rot. Bonds7

About 6,7-dimethoxy-4-methylquinoline;2-(4-methylanilino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide

6,7-dimethoxy-4-methylquinoline;2-(4-methylanilino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 143709247) has the molecular formula C30H31N5O3S and a molecular weight of 541.68 g/mol. Its IUPAC name is 6,7-dimethoxy-4-methylquinoline;2-(4-methylanilino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6,7-dimethoxy-4-methylquinoline;2-(4-methylanilino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID143709247
Molecular FormulaC30H31N5O3S
Molecular Weight541.68 g/mol
Exact Mass541.21
IUPAC Name6,7-dimethoxy-4-methylquinoline;2-(4-methylanilino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESCOc1cc2nccc(C)c2cc1OC.Cc1ccc(Nc2ncccc2C(=O)NC(C)c2nccs2)cc1
InChIInChI=1S/C18H18N4OS.C12H13NO2/c1-12-5-7-14(8-6-12)22-16-15(4-3-9-19-16)17(23)21-13(2)18-20-10-11-24-18;1-8-4-5-13-10-7-12(15-3)11(14-2)6-9(8)10/h3-11,13H,1-2H3,(H,19,22)(H,21,23);4-7H,1-3H3
InChIKeyZZSYJYZPQMVPMD-UHFFFAOYSA-N
XLogP6.64
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.68
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-methylquinoline;2-(4-methylanilino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6,7-dimethoxy-4-methylquinoline;2-(4-methylanilino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide (CID 143709247) is 6,7-dimethoxy-4-methylquinoline;2-(4-methylanilino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6,7-dimethoxy-4-methylquinoline;2-(4-methylanilino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6,7-dimethoxy-4-methylquinoline;2-(4-methylanilino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide is COc1cc2nccc(C)c2cc1OC.Cc1ccc(Nc2ncccc2C(=O)NC(C)c2nccs2)cc1.
What is the InChIKey of 6,7-dimethoxy-4-methylquinoline;2-(4-methylanilino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is ZZSYJYZPQMVPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS.C12H13NO2/c1-12-5-7-14(8-6-12)22-16-15(4-3-9-19-16)17(23)21-13(2)18-20-10-11-24-18;1-8-4-5-13-10-7-12(15-3)11(14-2)6-9(8)10/h3-11,13H,1-2H3,(H,19,22)(H,21,23);4-7H,1-3H3.
What are the key properties of 6,7-dimethoxy-4-methylquinoline;2-(4-methylanilino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
6,7-dimethoxy-4-methylquinoline;2-(4-methylanilino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 541.68 g/mol, XLogP of 6.64, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-methylquinoline;2-(4-methylanilino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 143709247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).