3-(2-methylsulfanylethyl)-2-phenylquinoline-4-carboxamide

C19H18N2OS — CID 154178448

IUPAC3-(2-methylsulfanylethyl)-2-phenylquinoline-4-carboxamide
SMILESCSCCc1c(-c2ccccc2)nc2ccccc2c1C(N)=O
InChIInChI=1S/C19H18N2OS/c1-23-12-11-15-17(19(20)22)14-9-5-6-10-16(14)21-18(15)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H2,20,22)
InChIKeyGYBBLXROJKTJQH-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.91
Rot. Bonds5

About 3-(2-methylsulfanylethyl)-2-phenylquinoline-4-carboxamide

3-(2-methylsulfanylethyl)-2-phenylquinoline-4-carboxamide (PubChem CID 154178448) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 3-(2-methylsulfanylethyl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name3-(2-methylsulfanylethyl)-2-phenylquinoline-4-carboxamide
PubChem CID154178448
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name3-(2-methylsulfanylethyl)-2-phenylquinoline-4-carboxamide
SMILESCSCCc1c(-c2ccccc2)nc2ccccc2c1C(N)=O
InChIInChI=1S/C19H18N2OS/c1-23-12-11-15-17(19(20)22)14-9-5-6-10-16(14)21-18(15)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H2,20,22)
InChIKeyGYBBLXROJKTJQH-UHFFFAOYSA-N
XLogP3.91
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfanylethyl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of 3-(2-methylsulfanylethyl)-2-phenylquinoline-4-carboxamide (CID 154178448) is 3-(2-methylsulfanylethyl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 3-(2-methylsulfanylethyl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 3-(2-methylsulfanylethyl)-2-phenylquinoline-4-carboxamide is CSCCc1c(-c2ccccc2)nc2ccccc2c1C(N)=O.
What is the InChIKey of 3-(2-methylsulfanylethyl)-2-phenylquinoline-4-carboxamide?
The InChIKey is GYBBLXROJKTJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-23-12-11-15-17(19(20)22)14-9-5-6-10-16(14)21-18(15)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H2,20,22).
What are the key properties of 3-(2-methylsulfanylethyl)-2-phenylquinoline-4-carboxamide?
3-(2-methylsulfanylethyl)-2-phenylquinoline-4-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfanylethyl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 154178448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).