N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide

C15H20N2O3S — CID 62214741

IUPACN-(3-methyl-1,1-dioxothiolan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCC1(NC(=O)c2cccc3c2NCCC3)CCS(=O)(=O)C1
InChIInChI=1S/C15H20N2O3S/c1-15(7-9-21(19,20)10-15)17-14(18)12-6-2-4-11-5-3-8-16-13(11)12/h2,4,6,16H,3,5,7-10H2,1H3,(H,17,18)
InChIKeyQNMDKUPXMBPTEB-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.35
Rot. Bonds2

About N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide

N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide (PubChem CID 62214741) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,1-dioxothiolan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
PubChem CID62214741
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(3-methyl-1,1-dioxothiolan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCC1(NC(=O)c2cccc3c2NCCC3)CCS(=O)(=O)C1
InChIInChI=1S/C15H20N2O3S/c1-15(7-9-21(19,20)10-15)17-14(18)12-6-2-4-11-5-3-8-16-13(11)12/h2,4,6,16H,3,5,7-10H2,1H3,(H,17,18)
InChIKeyQNMDKUPXMBPTEB-UHFFFAOYSA-N
XLogP1.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502
2-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716580
N-methyl-1,2,3,4-tetrahydroquinoline-8-carboxamide;hydrochloride
CID 146675579
N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-indole-4-carboxamide
CID 61275040
2-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 107358572
N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 65041181
3-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60718307
N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62214552
2-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63614767
2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716599
5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiophene-2-carboxylic acid
CID 60722078
4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716553

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide (CID 62214741) is N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide is CC1(NC(=O)c2cccc3c2NCCC3)CCS(=O)(=O)C1.
What is the InChIKey of N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The InChIKey is QNMDKUPXMBPTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-15(7-9-21(19,20)10-15)17-14(18)12-6-2-4-11-5-3-8-16-13(11)12/h2,4,6,16H,3,5,7-10H2,1H3,(H,17,18).
What are the key properties of N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 62214741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).