2,5-dioxo-N-(2-prop-2-enylsulfanylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide

C19H18N2O3S — CID 33331086

IUPAC2,5-dioxo-N-(2-prop-2-enylsulfanylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESC=CCSc1ccccc1NC(=O)c1cc2c([nH]c1=O)CCCC2=O
InChIInChI=1S/C19H18N2O3S/c1-2-10-25-17-9-4-3-6-15(17)21-19(24)13-11-12-14(20-18(13)23)7-5-8-16(12)22/h2-4,6,9,11H,1,5,7-8,10H2,(H,20,23)(H,21,24)
InChIKeyQNHYUQCZTLRPTQ-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.42
Rot. Bonds5

About 2,5-dioxo-N-(2-prop-2-enylsulfanylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide

2,5-dioxo-N-(2-prop-2-enylsulfanylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 33331086) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2,5-dioxo-N-(2-prop-2-enylsulfanylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name2,5-dioxo-N-(2-prop-2-enylsulfanylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID33331086
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name2,5-dioxo-N-(2-prop-2-enylsulfanylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESC=CCSc1ccccc1NC(=O)c1cc2c([nH]c1=O)CCCC2=O
InChIInChI=1S/C19H18N2O3S/c1-2-10-25-17-9-4-3-6-15(17)21-19(24)13-11-12-14(20-18(13)23)7-5-8-16(12)22/h2-4,6,9,11H,1,5,7-8,10H2,(H,20,23)(H,21,24)
InChIKeyQNHYUQCZTLRPTQ-UHFFFAOYSA-N
XLogP3.42
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-naphthalen-1-yl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56923268
N-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495526
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 39977206
N-(2,4-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36704964
6-oxo-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60659704
N-(5-carbamoyl-2,4-difluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 167952448
4-oxo-N-(2-prop-2-enylsulfanylphenyl)-3H-phthalazine-1-carboxamide
CID 17414247
3-amino-2-chloro-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 115930203
3-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 61102392
N-(2-fluorophenyl)-2-prop-2-enylsulfanylbenzamide
CID 6472262
4-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 63103213
1-(aminomethyl)-N-(2-prop-2-enylsulfanylphenyl)cyclohexane-1-carboxamide
CID 115437461

Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-N-(2-prop-2-enylsulfanylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 2,5-dioxo-N-(2-prop-2-enylsulfanylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 33331086) is 2,5-dioxo-N-(2-prop-2-enylsulfanylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 2,5-dioxo-N-(2-prop-2-enylsulfanylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 2,5-dioxo-N-(2-prop-2-enylsulfanylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide is C=CCSc1ccccc1NC(=O)c1cc2c([nH]c1=O)CCCC2=O.
What is the InChIKey of 2,5-dioxo-N-(2-prop-2-enylsulfanylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is QNHYUQCZTLRPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-2-10-25-17-9-4-3-6-15(17)21-19(24)13-11-12-14(20-18(13)23)7-5-8-16(12)22/h2-4,6,9,11H,1,5,7-8,10H2,(H,20,23)(H,21,24).
What are the key properties of 2,5-dioxo-N-(2-prop-2-enylsulfanylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide?
2,5-dioxo-N-(2-prop-2-enylsulfanylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-N-(2-prop-2-enylsulfanylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 33331086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).