4-(5-hydroxy-2-methylanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide

C20H16N4O2S — CID 44532634

IUPAC4-(5-hydroxy-2-methylanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide
SMILESCc1ccc(O)cc1Nc1c(C(N)=O)cnc2ccc(-c3cncs3)cc12
InChIInChI=1S/C20H16N4O2S/c1-11-2-4-13(25)7-17(11)24-19-14-6-12(18-9-22-10-27-18)3-5-16(14)23-8-15(19)20(21)26/h2-10,25H,1H3,(H2,21,26)(H,23,24)
InChIKeyZCVJSJKEEYSGNR-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.21
Rot. Bonds4

About 4-(5-hydroxy-2-methylanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide

4-(5-hydroxy-2-methylanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide (PubChem CID 44532634) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-(5-hydroxy-2-methylanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(5-hydroxy-2-methylanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide
PubChem CID44532634
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name4-(5-hydroxy-2-methylanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide
SMILESCc1ccc(O)cc1Nc1c(C(N)=O)cnc2ccc(-c3cncs3)cc12
InChIInChI=1S/C20H16N4O2S/c1-11-2-4-13(25)7-17(11)24-19-14-6-12(18-9-22-10-27-18)3-5-16(14)23-8-15(19)20(21)26/h2-10,25H,1H3,(H2,21,26)(H,23,24)
InChIKeyZCVJSJKEEYSGNR-UHFFFAOYSA-N
XLogP4.21
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxy-2-methylanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide?
The IUPAC name of 4-(5-hydroxy-2-methylanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide (CID 44532634) is 4-(5-hydroxy-2-methylanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(5-hydroxy-2-methylanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide?
The canonical SMILES for 4-(5-hydroxy-2-methylanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide is Cc1ccc(O)cc1Nc1c(C(N)=O)cnc2ccc(-c3cncs3)cc12.
What is the InChIKey of 4-(5-hydroxy-2-methylanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide?
The InChIKey is ZCVJSJKEEYSGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-11-2-4-13(25)7-17(11)24-19-14-6-12(18-9-22-10-27-18)3-5-16(14)23-8-15(19)20(21)26/h2-10,25H,1H3,(H2,21,26)(H,23,24).
What are the key properties of 4-(5-hydroxy-2-methylanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide?
4-(5-hydroxy-2-methylanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxy-2-methylanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide is sourced from PubChem (CID 44532634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).