2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[2-(diethylamino)ethyl]acetamide

C18H24ClN3O2S — CID 15997830

IUPAC2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12
InChIInChI=1S/C18H24ClN3O2S/c1-4-22(5-2)9-8-20-17(23)12-25-16-11-18(24)21(3)15-10-13(19)6-7-14(15)16/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,20,23)
InChIKeySWUGJLJMJSRDKW-UHFFFAOYSA-N
MW381.93 g/mol
LogP2.74
Rot. Bonds8

About 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[2-(diethylamino)ethyl]acetamide

2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[2-(diethylamino)ethyl]acetamide (PubChem CID 15997830) has the molecular formula C18H24ClN3O2S and a molecular weight of 381.93 g/mol. Its IUPAC name is 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[2-(diethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[2-(diethylamino)ethyl]acetamide
PubChem CID15997830
Molecular FormulaC18H24ClN3O2S
Molecular Weight381.93 g/mol
Exact Mass381.13
IUPAC Name2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12
InChIInChI=1S/C18H24ClN3O2S/c1-4-22(5-2)9-8-20-17(23)12-25-16-11-18(24)21(3)15-10-13(19)6-7-14(15)16/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,20,23)
InChIKeySWUGJLJMJSRDKW-UHFFFAOYSA-N
XLogP2.74
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
CID 15995874
2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-cyclopropylacetamide
CID 20856556
2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 15996857
4-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]butanamide
CID 112759806
1-butyl-7-chloro-N-[3-(diethylamino)propyl]-4-oxoquinoline-3-carboxamide
CID 78323370
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide
CID 56689381
2-acetamido-3-(4-chlorophenyl)sulfanyl-N-[2-(diethylamino)ethyl]propanamide
CID 5036041
2-chloro-N-[2-(diethylamino)ethyl]-1-methylindole-3-carboxamide
CID 10804691
N-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide
CID 3939091
5-chloro-N-[2-(diethylamino)ethyl]-2-ethyl-3-phenylisoindole-1-carboxamide
CID 54497345
N-[2-(diethylamino)ethyl]-3,3-diphenylpropanamide
CID 59499353
N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide
CID 166226192

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[2-(diethylamino)ethyl]acetamide?
The IUPAC name of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[2-(diethylamino)ethyl]acetamide (CID 15997830) is 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[2-(diethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[2-(diethylamino)ethyl]acetamide?
The canonical SMILES for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[2-(diethylamino)ethyl]acetamide is CCN(CC)CCNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12.
What is the InChIKey of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[2-(diethylamino)ethyl]acetamide?
The InChIKey is SWUGJLJMJSRDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2S/c1-4-22(5-2)9-8-20-17(23)12-25-16-11-18(24)21(3)15-10-13(19)6-7-14(15)16/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,20,23).
What are the key properties of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[2-(diethylamino)ethyl]acetamide?
2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[2-(diethylamino)ethyl]acetamide has a molecular weight of 381.93 g/mol, XLogP of 2.74, 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-[2-(diethylamino)ethyl]acetamide is sourced from PubChem (CID 15997830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).