5-chloro-N-(2-methylquinolin-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide

C16H13ClN4O3S — CID 19245702

IUPAC5-chloro-N-(2-methylquinolin-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide
SMILESCc1ccc2c(NC(=O)c3nc(S(C)(=O)=O)ncc3Cl)cccc2n1
InChIInChI=1S/C16H13ClN4O3S/c1-9-6-7-10-12(19-9)4-3-5-13(10)20-15(22)14-11(17)8-18-16(21-14)25(2,23)24/h3-8H,1-2H3,(H,20,22)
InChIKeyDRRHQEPOBXQFSA-UHFFFAOYSA-N
MW376.83 g/mol
LogP2.64
Rot. Bonds3

About 5-chloro-N-(2-methylquinolin-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide

5-chloro-N-(2-methylquinolin-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide (PubChem CID 19245702) has the molecular formula C16H13ClN4O3S and a molecular weight of 376.83 g/mol. Its IUPAC name is 5-chloro-N-(2-methylquinolin-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methylquinolin-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide
PubChem CID19245702
Molecular FormulaC16H13ClN4O3S
Molecular Weight376.83 g/mol
Exact Mass376.04
IUPAC Name5-chloro-N-(2-methylquinolin-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide
SMILESCc1ccc2c(NC(=O)c3nc(S(C)(=O)=O)ncc3Cl)cccc2n1
InChIInChI=1S/C16H13ClN4O3S/c1-9-6-7-10-12(19-9)4-3-5-13(10)20-15(22)14-11(17)8-18-16(21-14)25(2,23)24/h3-8H,1-2H3,(H,20,22)
InChIKeyDRRHQEPOBXQFSA-UHFFFAOYSA-N
XLogP2.64
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.83
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(2-chlorophenyl)-2-methylsulfonylpyrimidine-4-carboxamide
CID 2985513
5-chloro-2-ethylsulfonyl-N-(6-methyl-2-pyridinyl)pyrimidine-4-carboxamide
CID 19245791
2,4-dichloro-N-(2-methylquinolin-5-yl)benzamide
CID 6462273
5-chloro-N-(2,3-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 6457019
5-chloro-N-(2,3-dichlorophenyl)-2-propylsulfonylpyrimidine-4-carboxamide
CID 18879986
3-iodo-N-(2-methylquinolin-5-yl)benzamide
CID 17099145
3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide
CID 2996969
N-butyl-5-chloro-2-methylsulfonylpyrimidine-4-carboxamide
CID 19155007
5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 2990902
N-(2-methylquinolin-5-yl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513237
5-chloro-N-methyl-2-methylsulfonyl-N-phenylpyrimidine-4-carboxamide
CID 2989871
5-chloro-N-(2,5-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 6456920

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methylquinolin-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(2-methylquinolin-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide (CID 19245702) is 5-chloro-N-(2-methylquinolin-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methylquinolin-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methylquinolin-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide is Cc1ccc2c(NC(=O)c3nc(S(C)(=O)=O)ncc3Cl)cccc2n1.
What is the InChIKey of 5-chloro-N-(2-methylquinolin-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide?
The InChIKey is DRRHQEPOBXQFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3S/c1-9-6-7-10-12(19-9)4-3-5-13(10)20-15(22)14-11(17)8-18-16(21-14)25(2,23)24/h3-8H,1-2H3,(H,20,22).
What are the key properties of 5-chloro-N-(2-methylquinolin-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide?
5-chloro-N-(2-methylquinolin-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide has a molecular weight of 376.83 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methylquinolin-5-yl)-2-methylsulfonylpyrimidine-4-carboxamide is sourced from PubChem (CID 19245702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).