N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide

C22H20N4O2S — CID 118339831

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide
SMILESCc1ccc(O)cc1Nc1ccnc2c(C(=O)Nc3nc(C)c(C)s3)cccc12
InChIInChI=1S/C22H20N4O2S/c1-12-7-8-15(27)11-19(12)25-18-9-10-23-20-16(18)5-4-6-17(20)21(28)26-22-24-13(2)14(3)29-22/h4-11,27H,1-3H3,(H,23,25)(H,24,26,28)
InChIKeyAGZRAOOZJKBSEQ-UHFFFAOYSA-N
MW404.50 g/mol
LogP5.32
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide (PubChem CID 118339831) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide
PubChem CID118339831
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide
SMILESCc1ccc(O)cc1Nc1ccnc2c(C(=O)Nc3nc(C)c(C)s3)cccc12
InChIInChI=1S/C22H20N4O2S/c1-12-7-8-15(27)11-19(12)25-18-9-10-23-20-16(18)5-4-6-17(20)21(28)26-22-24-13(2)14(3)29-22/h4-11,27H,1-3H3,(H,23,25)(H,24,26,28)
InChIKeyAGZRAOOZJKBSEQ-UHFFFAOYSA-N
XLogP5.32
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.50
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-hydroxy-2-methylanilino)-N-(2-methylsulfonylethyl)quinoline-8-carboxamide
CID 118339805
4-(5-hydroxy-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)quinoline-8-carboxamide
CID 118339808
N-[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide
CID 118339819
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
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1-[[4-(5-hydroxy-2-methylanilino)quinolin-8-yl]-methyl-nitroso-λ4-sulfanyl]ethanone
CID 87658008
4-methyl-3-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol
CID 174218840
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CID 62178330
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(methylamino)-2-nitrobenzamide
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2-(difluoromethylsulfanyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18128699
N-(2,5-dimethylphenyl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide
CID 108529959
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-ylsulfanylbenzamide
CID 47098613
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-benzodioxole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide (CID 118339831) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide is Cc1ccc(O)cc1Nc1ccnc2c(C(=O)Nc3nc(C)c(C)s3)cccc12.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide?
The InChIKey is AGZRAOOZJKBSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-12-7-8-15(27)11-19(12)25-18-9-10-23-20-16(18)5-4-6-17(20)21(28)26-22-24-13(2)14(3)29-22/h4-11,27H,1-3H3,(H,23,25)(H,24,26,28).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 5.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide is sourced from PubChem (CID 118339831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).