2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

C24H21N3O4S — CID 71241905

IUPAC2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCc1cc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)ccc1S(C)(=O)=O
InChIInChI=1S/C24H21N3O4S/c1-15-11-16(7-8-23(15)32(2,29)30)17-12-20-18(5-3-9-26-20)22(13-17)31-14-21-19(24(25)28)6-4-10-27-21/h3-13H,14H2,1-2H3,(H2,25,28)
InChIKeyBXRVQANSKNMLFI-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.69
Rot. Bonds6

About 2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (PubChem CID 71241905) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is 2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
PubChem CID71241905
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC Name2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCc1cc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)ccc1S(C)(=O)=O
InChIInChI=1S/C24H21N3O4S/c1-15-11-16(7-8-23(15)32(2,29)30)17-12-20-18(5-3-9-26-20)22(13-17)31-14-21-19(24(25)28)6-4-10-27-21/h3-13H,14H2,1-2H3,(H2,25,28)
InChIKeyBXRVQANSKNMLFI-UHFFFAOYSA-N
XLogP3.69
TPSA112.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (CID 71241905) is 2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is Cc1cc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)ccc1S(C)(=O)=O.
What is the InChIKey of 2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is BXRVQANSKNMLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-15-11-16(7-8-23(15)32(2,29)30)17-12-20-18(5-3-9-26-20)22(13-17)31-14-21-19(24(25)28)6-4-10-27-21/h3-13H,14H2,1-2H3,(H2,25,28).
What are the key properties of 2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 447.52 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71241905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).