N-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide

C19H19N3O3S — CID 171501797

IUPACN-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide
SMILESCC(=O)N(Cc1ccc2ccc(C)nc2c1)c1cccnc1S(C)(=O)=O
InChIInChI=1S/C19H19N3O3S/c1-13-6-8-16-9-7-15(11-17(16)21-13)12-22(14(2)23)18-5-4-10-20-19(18)26(3,24)25/h4-11H,12H2,1-3H3
InChIKeyNTNGVBDLOXWOBI-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.89
Rot. Bonds4

About N-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide

N-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide (PubChem CID 171501797) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide
PubChem CID171501797
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide
SMILESCC(=O)N(Cc1ccc2ccc(C)nc2c1)c1cccnc1S(C)(=O)=O
InChIInChI=1S/C19H19N3O3S/c1-13-6-8-16-9-7-15(11-17(16)21-13)12-22(14(2)23)18-5-4-10-20-19(18)26(3,24)25/h4-11H,12H2,1-3H3
InChIKeyNTNGVBDLOXWOBI-UHFFFAOYSA-N
XLogP2.89
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-aminoquinolin-7-yl)methyl]-2-methoxy-N-(2-methylsulfonyl-3-pyridinyl)acetamide
CID 171502057
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide
CID 171501060
N-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)-2-pyrimidin-2-ylacetamide
CID 171501412
N-[(2-aminoquinolin-7-yl)methyl]-3,3-difluoro-N-(2-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide
CID 171502178
N-[(2-chloroquinolin-7-yl)methyl]-N-quinolin-8-ylacetamide
CID 171501804
N-[(2-aminoquinolin-7-yl)methyl]-N-[2-(hydroxymethyl)-3-pyridinyl]acetamide
CID 171501102
(2Z,4Z)-2,5-diamino-N-[(2-aminoquinolin-7-yl)methyl]-6,6,6-trifluoro-N-(2-methylsulfonyl-3-pyridinyl)hexa-2,4-dienamide
CID 171501271
methyl 3-[acetyl-[(2-chloroquinolin-7-yl)methyl]amino]pyridine-2-carboxylate
CID 171502149
N-[(2-chloro-3-methylquinolin-7-yl)methyl]-6-cyclopropyl-N-(2-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide
CID 171501529
N-[(2-amino-3-chloroquinolin-7-yl)methyl]-2-cyclopropyl-N-(2-methylsulfonyl-3-pyridinyl)pyrimidine-5-carboxamide
CID 171501220
7-[(N-acetyl-2-methylsulfonylanilino)methyl]-2-aminoquinoline-3-carboxamide
CID 171502116
N-[(2-amino-3-chloroquinolin-7-yl)methyl]-2-cyclopropyl-N-(2-methylsulfonyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 171501621

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide?
The IUPAC name of N-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide (CID 171501797) is N-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide.
What is the SMILES notation for N-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide?
The canonical SMILES for N-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide is CC(=O)N(Cc1ccc2ccc(C)nc2c1)c1cccnc1S(C)(=O)=O.
What is the InChIKey of N-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide?
The InChIKey is NTNGVBDLOXWOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-13-6-8-16-9-7-15(11-17(16)21-13)12-22(14(2)23)18-5-4-10-20-19(18)26(3,24)25/h4-11H,12H2,1-3H3.
What are the key properties of N-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide?
N-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide has a molecular weight of 369.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide is sourced from PubChem (CID 171501797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).