N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide

C15H18N2O3S — CID 103767277

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NCCSCCCO)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H18N2O3S/c18-7-3-8-21-9-6-16-15(20)12-10-14(19)17-13-5-2-1-4-11(12)13/h1-2,4-5,10,18H,3,6-9H2,(H,16,20)(H,17,19)
InChIKeyXBPZKCLIQQGCGW-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.37
Rot. Bonds7

About N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide

N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 103767277) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID103767277
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NCCSCCCO)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H18N2O3S/c18-7-3-8-21-9-6-16-15(20)12-10-14(19)17-13-5-2-1-4-11(12)13/h1-2,4-5,10,18H,3,6-9H2,(H,16,20)(H,17,19)
InChIKeyXBPZKCLIQQGCGW-UHFFFAOYSA-N
XLogP1.37
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-2-hydroxy-4-quinolinecarboxamide
CID 3617220
N-cyclopropyl-2-thioxo-1,2-dihydroquinoline-4-carboxamide
CID 7131895
N-{3-[(isopropylamino)carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
CID 22553945
4-(((3-Hydroxypropyl)amino)methyl)quinolin-2-ol
CID 665199
N-butyl-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]acetamide
CID 3240307
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 4885392
N-(2-cyclohex-1-en-1-ylethyl)-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]acetamide
CID 12005162
N-{2-[(butylamino)carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
CID 22553841
fusarithioamide A
CID 134692099
N-(2-ethylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 4891766
2-methyl-N-{2-methyl-5-[(propylamino)carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
CID 22554005
N-(3-aminopropyl)-5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-9-carboxamide
CID 42606476

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide (CID 103767277) is N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide is O=C(NCCSCCCO)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is XBPZKCLIQQGCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c18-7-3-8-21-9-6-16-15(20)12-10-14(19)17-13-5-2-1-4-11(12)13/h1-2,4-5,10,18H,3,6-9H2,(H,16,20)(H,17,19).
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 103767277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).