2-(3-methoxyphenyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide

C20H15N3O3S — CID 126459305

IUPAC2-(3-methoxyphenyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide
SMILESCOc1cccc(-n2cc(C(=O)Nc3nccs3)c3ccccc3c2=O)c1
InChIInChI=1S/C20H15N3O3S/c1-26-14-6-4-5-13(11-14)23-12-17(18(24)22-20-21-9-10-27-20)15-7-2-3-8-16(15)19(23)25/h2-12H,1H3,(H,21,22,24)
InChIKeyOSNNLXSQWZEHMF-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.71
Rot. Bonds4

About 2-(3-methoxyphenyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide

2-(3-methoxyphenyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide (PubChem CID 126459305) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide
PubChem CID126459305
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Name2-(3-methoxyphenyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide
SMILESCOc1cccc(-n2cc(C(=O)Nc3nccs3)c3ccccc3c2=O)c1
InChIInChI=1S/C20H15N3O3S/c1-26-14-6-4-5-13(11-14)23-12-17(18(24)22-20-21-9-10-27-20)15-7-2-3-8-16(15)19(23)25/h2-12H,1H3,(H,21,22,24)
InChIKeyOSNNLXSQWZEHMF-UHFFFAOYSA-N
XLogP3.71
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-oxoisoquinoline-4-carboxamide
CID 22549822
2-(3-methoxyphenyl)-1-oxo-N-pyridin-3-ylisoquinoline-4-carboxamide
CID 6625931
methyl 4-[[2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carbonyl]amino]benzoate
CID 22549874
2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxylic acid
CID 3242980
2-(2-methoxyethyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide
CID 56761267
N-(3-ethylphenyl)-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 22549816
N-(2-cyanophenyl)-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 46273520
N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 6625975
1-[(3-methoxyphenyl)methoxy]-2-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 110382401
2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one
CID 22549757
2-(3-methoxyanilino)-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide
CID 17386383
1,3-dimethyl-2,4-dioxo-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
CID 84560983

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide (CID 126459305) is 2-(3-methoxyphenyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide is COc1cccc(-n2cc(C(=O)Nc3nccs3)c3ccccc3c2=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide?
The InChIKey is OSNNLXSQWZEHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-26-14-6-4-5-13(11-14)23-12-17(18(24)22-20-21-9-10-27-20)15-7-2-3-8-16(15)19(23)25/h2-12H,1H3,(H,21,22,24).
What are the key properties of 2-(3-methoxyphenyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide?
2-(3-methoxyphenyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide is sourced from PubChem (CID 126459305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).