1-(6-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one

C24H26N2O4S — CID 158717893

IUPAC1-(6-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one
SMILESCOc1ccc2nc(C)c(C(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2c1
InChIInChI=1S/C24H26N2O4S/c1-17-22(16-19-15-20(30-2)8-11-23(19)25-17)24(27)12-7-18-5-9-21(10-6-18)31(28,29)26-13-3-4-14-26/h5-6,8-11,15-16H,3-4,7,12-14H2,1-2H3
InChIKeyDIOHFGHQMQTCJG-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.15
Rot. Bonds7

About 1-(6-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one

1-(6-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one (PubChem CID 158717893) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 1-(6-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(6-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one
PubChem CID158717893
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name1-(6-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one
SMILESCOc1ccc2nc(C)c(C(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2c1
InChIInChI=1S/C24H26N2O4S/c1-17-22(16-19-15-20(30-2)8-11-23(19)25-17)24(27)12-7-18-5-9-21(10-6-18)31(28,29)26-13-3-4-14-26/h5-6,8-11,15-16H,3-4,7,12-14H2,1-2H3
InChIKeyDIOHFGHQMQTCJG-UHFFFAOYSA-N
XLogP4.15
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dimethylquinolin-3-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
CID 157347369
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate
CID 38130906
6-methoxy-2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]quinoline-3-carboxamide
CID 33075683
3-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 4822535
(4-methoxy-2-nitrophenyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 55340942
3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 55918908
3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108759230
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 4815524
3,5-dimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125401
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55661313
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 42987404
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111181910

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one?
The IUPAC name of 1-(6-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one (CID 158717893) is 1-(6-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one.
What is the SMILES notation for 1-(6-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one?
The canonical SMILES for 1-(6-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one is COc1ccc2nc(C)c(C(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2c1.
What is the InChIKey of 1-(6-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one?
The InChIKey is DIOHFGHQMQTCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-17-22(16-19-15-20(30-2)8-11-23(19)25-17)24(27)12-7-18-5-9-21(10-6-18)31(28,29)26-13-3-4-14-26/h5-6,8-11,15-16H,3-4,7,12-14H2,1-2H3.
What are the key properties of 1-(6-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one?
1-(6-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one has a molecular weight of 438.55 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one is sourced from PubChem (CID 158717893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).