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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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).