N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide

C17H15N3O4S — CID 43831878

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1cccc2c(=O)c(C(=O)Nc3nc(C)c(C(C)=O)s3)c[nH]c12
InChIInChI=1S/C17H15N3O4S/c1-8-15(9(2)21)25-17(19-8)20-16(23)11-7-18-13-10(14(11)22)5-4-6-12(13)24-3/h4-7H,1-3H3,(H,18,22)(H,19,20,23)
InChIKeyDYINZZPNEPEUAJ-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.76
Rot. Bonds4

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 43831878) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
PubChem CID43831878
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1cccc2c(=O)c(C(=O)Nc3nc(C)c(C(C)=O)s3)c[nH]c12
InChIInChI=1S/C17H15N3O4S/c1-8-15(9(2)21)25-17(19-8)20-16(23)11-7-18-13-10(14(11)22)5-4-6-12(13)24-3/h4-7H,1-3H3,(H,18,22)(H,19,20,23)
InChIKeyDYINZZPNEPEUAJ-UHFFFAOYSA-N
XLogP2.76
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

8-methoxy-N-(6-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide
CID 43831811
ethyl 2-[(8-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 39849526
N-(3-bromophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43831968
propan-2-yl 4-[(8-methoxy-4-oxo-1H-quinoline-3-carbonyl)amino]benzoate
CID 43831906
N-[3-(dimethylamino)propyl]-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 91641164
3-acetyl-8-methoxy-1H-quinolin-4-one;1-(4-chloro-8-methoxyquinolin-3-yl)ethanone
CID 158708197
N-[5-(2-bromoacetyl)-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 82162119
8-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 51052517
3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-one
CID 10333492
N-(2-methoxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 42589534
ethyl 2-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 17016505
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzamide
CID 17391508

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide (CID 43831878) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide is COc1cccc2c(=O)c(C(=O)Nc3nc(C)c(C(C)=O)s3)c[nH]c12.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is DYINZZPNEPEUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-8-15(9(2)21)25-17(19-8)20-16(23)11-7-18-13-10(14(11)22)5-4-6-12(13)24-3/h4-7H,1-3H3,(H,18,22)(H,19,20,23).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 43831878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).