2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide

C18H23ClN2O3S — CID 15995874

IUPAC2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12
InChIInChI=1S/C18H23ClN2O3S/c1-12(2)24-8-4-7-20-17(22)11-25-16-10-18(23)21(3)15-9-13(19)5-6-14(15)16/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,20,22)
InChIKeyVWQKFVVDDSWMIZ-UHFFFAOYSA-N
MW382.91 g/mol
LogP3.22
Rot. Bonds8

About 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide

2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 15995874) has the molecular formula C18H23ClN2O3S and a molecular weight of 382.91 g/mol. Its IUPAC name is 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID15995874
Molecular FormulaC18H23ClN2O3S
Molecular Weight382.91 g/mol
Exact Mass382.11
IUPAC Name2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12
InChIInChI=1S/C18H23ClN2O3S/c1-12(2)24-8-4-7-20-17(22)11-25-16-10-18(23)21(3)15-9-13(19)5-6-14(15)16/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,20,22)
InChIKeyVWQKFVVDDSWMIZ-UHFFFAOYSA-N
XLogP3.22
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.91
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide (CID 15995874) is 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12.
What is the InChIKey of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is VWQKFVVDDSWMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3S/c1-12(2)24-8-4-7-20-17(22)11-25-16-10-18(23)21(3)15-9-13(19)5-6-14(15)16/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,20,22).
What are the key properties of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide?
2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 382.91 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 15995874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).