N-(4-methoxyquinolin-8-yl)-4-methylsulfanylbutanamide

C15H18N2O2S — CID 75396693

IUPACN-(4-methoxyquinolin-8-yl)-4-methylsulfanylbutanamide
SMILESCOc1ccnc2c(NC(=O)CCCSC)cccc12
InChIInChI=1S/C15H18N2O2S/c1-19-13-8-9-16-15-11(13)5-3-6-12(15)17-14(18)7-4-10-20-2/h3,5-6,8-9H,4,7,10H2,1-2H3,(H,17,18)
InChIKeyWTULPLIWBSBRIP-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.33
Rot. Bonds6

About N-(4-methoxyquinolin-8-yl)-4-methylsulfanylbutanamide

N-(4-methoxyquinolin-8-yl)-4-methylsulfanylbutanamide (PubChem CID 75396693) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(4-methoxyquinolin-8-yl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-(4-methoxyquinolin-8-yl)-4-methylsulfanylbutanamide
PubChem CID75396693
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(4-methoxyquinolin-8-yl)-4-methylsulfanylbutanamide
SMILESCOc1ccnc2c(NC(=O)CCCSC)cccc12
InChIInChI=1S/C15H18N2O2S/c1-19-13-8-9-16-15-11(13)5-3-6-12(15)17-14(18)7-4-10-20-2/h3,5-6,8-9H,4,7,10H2,1-2H3,(H,17,18)
InChIKeyWTULPLIWBSBRIP-UHFFFAOYSA-N
XLogP3.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyquinolin-8-yl)carbamic acid
CID 155211747
4-methoxy-N-(8-methoxyquinolin-5-yl)butanamide
CID 47383104
N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119422835
1-(4-methoxyquinolin-8-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 86790173
N-(4-methoxyquinolin-8-yl)-4-methyl-1,4-diazepane-1-carboxamide
CID 84597397
N-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 26123575
8-hydroxysulfanyl-4-methoxyquinoline
CID 176668017
4-methoxyquinoline-8-carbaldehyde
CID 171397329
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813
N-(4-methoxynaphthalen-1-yl)-4-(4-methylphenyl)sulfanylbutanamide
CID 8700318
N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108956737
N-quinolin-8-ylundecanamide
CID 3567928

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyquinolin-8-yl)-4-methylsulfanylbutanamide?
The IUPAC name of N-(4-methoxyquinolin-8-yl)-4-methylsulfanylbutanamide (CID 75396693) is N-(4-methoxyquinolin-8-yl)-4-methylsulfanylbutanamide.
What is the SMILES notation for N-(4-methoxyquinolin-8-yl)-4-methylsulfanylbutanamide?
The canonical SMILES for N-(4-methoxyquinolin-8-yl)-4-methylsulfanylbutanamide is COc1ccnc2c(NC(=O)CCCSC)cccc12.
What is the InChIKey of N-(4-methoxyquinolin-8-yl)-4-methylsulfanylbutanamide?
The InChIKey is WTULPLIWBSBRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-19-13-8-9-16-15-11(13)5-3-6-12(15)17-14(18)7-4-10-20-2/h3,5-6,8-9H,4,7,10H2,1-2H3,(H,17,18).
What are the key properties of N-(4-methoxyquinolin-8-yl)-4-methylsulfanylbutanamide?
N-(4-methoxyquinolin-8-yl)-4-methylsulfanylbutanamide has a molecular weight of 290.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyquinolin-8-yl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 75396693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).