2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide

C19H18N2O2S — CID 4571607

IUPAC2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide
SMILESCOc1ccc2c(-c3ccccc3)cc(SC(C)C(N)=O)nc2c1
InChIInChI=1S/C19H18N2O2S/c1-12(19(20)22)24-18-11-16(13-6-4-3-5-7-13)15-9-8-14(23-2)10-17(15)21-18/h3-12H,1-2H3,(H2,20,22)
InChIKeyAHXSRSHNHXYFSK-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.88
Rot. Bonds5

About 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide

2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide (PubChem CID 4571607) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide
PubChem CID4571607
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide
SMILESCOc1ccc2c(-c3ccccc3)cc(SC(C)C(N)=O)nc2c1
InChIInChI=1S/C19H18N2O2S/c1-12(19(20)22)24-18-11-16(13-6-4-3-5-7-13)15-9-8-14(23-2)10-17(15)21-18/h3-12H,1-2H3,(H2,20,22)
InChIKeyAHXSRSHNHXYFSK-UHFFFAOYSA-N
XLogP3.88
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide?
The IUPAC name of 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide (CID 4571607) is 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide?
The canonical SMILES for 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide is COc1ccc2c(-c3ccccc3)cc(SC(C)C(N)=O)nc2c1.
What is the InChIKey of 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide?
The InChIKey is AHXSRSHNHXYFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-12(19(20)22)24-18-11-16(13-6-4-3-5-7-13)15-9-8-14(23-2)10-17(15)21-18/h3-12H,1-2H3,(H2,20,22).
What are the key properties of 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide?
2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide has a molecular weight of 338.43 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 4571607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).