4-methoxy-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-2-carboxamide

C18H20N4O4S — CID 3361449

IUPAC4-methoxy-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-2-carboxamide
SMILESCOc1cc(C(=O)N(c2c(C)nn(C)c2C)S(C)(=O)=O)nc2ccccc12
InChIInChI=1S/C18H20N4O4S/c1-11-17(12(2)21(3)20-11)22(27(5,24)25)18(23)15-10-16(26-4)13-8-6-7-9-14(13)19-15/h6-10H,1-5H3
InChIKeyATFSKSMYCIRSBL-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.20
Rot. Bonds4

About 4-methoxy-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-2-carboxamide

4-methoxy-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-2-carboxamide (PubChem CID 3361449) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-methoxy-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-2-carboxamide
PubChem CID3361449
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name4-methoxy-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-2-carboxamide
SMILESCOc1cc(C(=O)N(c2c(C)nn(C)c2C)S(C)(=O)=O)nc2ccccc12
InChIInChI=1S/C18H20N4O4S/c1-11-17(12(2)21(3)20-11)22(27(5,24)25)18(23)15-10-16(26-4)13-8-6-7-9-14(13)19-15/h6-10H,1-5H3
InChIKeyATFSKSMYCIRSBL-UHFFFAOYSA-N
XLogP2.20
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methoxyquinolin-2-yl)ethanone
CID 22954601
4-methoxy-2-prop-1-en-2-ylquinoline
CID 119087132
N-[(4aR,6S,7aS)-2-(4-methoxyquinoline-2-carbonyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylmethanesulfonamide
CID 169414814
ethyl 2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxylate
CID 4596963
[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 3693938
(4-methoxyquinolin-2-yl)-[2-(4-methylthiadiazole-5-carbonyl)pyrazolidin-1-yl]methanone
CID 3835128
(4-methoxyquinolin-2-yl) hydrogen carbonate
CID 70267248
1-azabicyclo[2.2.2]octan-3-yl 4-methoxyquinoline-2-carboxylate
CID 10320372
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxyquinoline-2-carboxamide
CID 131922619
N-(furan-2-ylmethyl)-4-methoxyquinoline-2-carboxamide
CID 71824016
[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 3274641
(2-ethyl-5-methylpyrazol-3-yl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone
CID 3367250

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-2-carboxamide?
The IUPAC name of 4-methoxy-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-2-carboxamide (CID 3361449) is 4-methoxy-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-2-carboxamide?
The canonical SMILES for 4-methoxy-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-2-carboxamide is COc1cc(C(=O)N(c2c(C)nn(C)c2C)S(C)(=O)=O)nc2ccccc12.
What is the InChIKey of 4-methoxy-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-2-carboxamide?
The InChIKey is ATFSKSMYCIRSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-11-17(12(2)21(3)20-11)22(27(5,24)25)18(23)15-10-16(26-4)13-8-6-7-9-14(13)19-15/h6-10H,1-5H3.
What are the key properties of 4-methoxy-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-2-carboxamide?
4-methoxy-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-2-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-2-carboxamide is sourced from PubChem (CID 3361449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).