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

C19H20N4O4S — CID 171502057

IUPACN-[(2-aminoquinolin-7-yl)methyl]-2-methoxy-N-(2-methylsulfonyl-3-pyridinyl)acetamide
SMILESCOCC(=O)N(Cc1ccc2ccc(N)nc2c1)c1cccnc1S(C)(=O)=O
InChIInChI=1S/C19H20N4O4S/c1-27-12-18(24)23(16-4-3-9-21-19(16)28(2,25)26)11-13-5-6-14-7-8-17(20)22-15(14)10-13/h3-10H,11-12H2,1-2H3,(H2,20,22)
InChIKeyYWUUFFRSNDJCAA-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.80
Rot. Bonds6

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

N-[(2-aminoquinolin-7-yl)methyl]-2-methoxy-N-(2-methylsulfonyl-3-pyridinyl)acetamide (PubChem CID 171502057) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[(2-aminoquinolin-7-yl)methyl]-2-methoxy-N-(2-methylsulfonyl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(2-aminoquinolin-7-yl)methyl]-2-methoxy-N-(2-methylsulfonyl-3-pyridinyl)acetamide
PubChem CID171502057
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-[(2-aminoquinolin-7-yl)methyl]-2-methoxy-N-(2-methylsulfonyl-3-pyridinyl)acetamide
SMILESCOCC(=O)N(Cc1ccc2ccc(N)nc2c1)c1cccnc1S(C)(=O)=O
InChIInChI=1S/C19H20N4O4S/c1-27-12-18(24)23(16-4-3-9-21-19(16)28(2,25)26)11-13-5-6-14-7-8-17(20)22-15(14)10-13/h3-10H,11-12H2,1-2H3,(H2,20,22)
InChIKeyYWUUFFRSNDJCAA-UHFFFAOYSA-N
XLogP1.80
TPSA115.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide
CID 171501060
N-[(2-aminoquinolin-7-yl)methyl]-3,3-difluoro-N-(2-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide
CID 171502178
(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
N-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide
CID 171501797
N-[(2-aminoquinolin-7-yl)methyl]-N-[2-(hydroxymethyl)-3-pyridinyl]acetamide
CID 171501102
N-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)-2-pyrimidin-2-ylacetamide
CID 171501412
N-[(2-amino-3-chloroquinolin-7-yl)methyl]-2-cyclopropyl-N-(2-methylsulfonyl-3-pyridinyl)pyrimidine-5-carboxamide
CID 171501220
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)-1,3-thiazole-5-carboxamide
CID 171501621
N-[(2-aminoquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 171501441
N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide
CID 171501824
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide
CID 171502367

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminoquinolin-7-yl)methyl]-2-methoxy-N-(2-methylsulfonyl-3-pyridinyl)acetamide?
The IUPAC name of N-[(2-aminoquinolin-7-yl)methyl]-2-methoxy-N-(2-methylsulfonyl-3-pyridinyl)acetamide (CID 171502057) is N-[(2-aminoquinolin-7-yl)methyl]-2-methoxy-N-(2-methylsulfonyl-3-pyridinyl)acetamide.
What is the SMILES notation for N-[(2-aminoquinolin-7-yl)methyl]-2-methoxy-N-(2-methylsulfonyl-3-pyridinyl)acetamide?
The canonical SMILES for N-[(2-aminoquinolin-7-yl)methyl]-2-methoxy-N-(2-methylsulfonyl-3-pyridinyl)acetamide is COCC(=O)N(Cc1ccc2ccc(N)nc2c1)c1cccnc1S(C)(=O)=O.
What is the InChIKey of N-[(2-aminoquinolin-7-yl)methyl]-2-methoxy-N-(2-methylsulfonyl-3-pyridinyl)acetamide?
The InChIKey is YWUUFFRSNDJCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-27-12-18(24)23(16-4-3-9-21-19(16)28(2,25)26)11-13-5-6-14-7-8-17(20)22-15(14)10-13/h3-10H,11-12H2,1-2H3,(H2,20,22).
What are the key properties of N-[(2-aminoquinolin-7-yl)methyl]-2-methoxy-N-(2-methylsulfonyl-3-pyridinyl)acetamide?
N-[(2-aminoquinolin-7-yl)methyl]-2-methoxy-N-(2-methylsulfonyl-3-pyridinyl)acetamide has a molecular weight of 400.46 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminoquinolin-7-yl)methyl]-2-methoxy-N-(2-methylsulfonyl-3-pyridinyl)acetamide is sourced from PubChem (CID 171502057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).