4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-quinolin-7-ylbenzamide

C19H18N4O3S — CID 118466685

IUPAC4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-quinolin-7-ylbenzamide
SMILESO=C(Nc1ccc2cccnc2c1)c1ccc(N2CCCNS2(=O)=O)cc1
InChIInChI=1S/C19H18N4O3S/c24-19(22-16-7-4-14-3-1-10-20-18(14)13-16)15-5-8-17(9-6-15)23-12-2-11-21-27(23,25)26/h1,3-10,13,21H,2,11-12H2,(H,22,24)
InChIKeyWDQBILBCDCOYKZ-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.53
Rot. Bonds3

About 4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-quinolin-7-ylbenzamide

4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-quinolin-7-ylbenzamide (PubChem CID 118466685) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-quinolin-7-ylbenzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-quinolin-7-ylbenzamide
PubChem CID118466685
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-quinolin-7-ylbenzamide
SMILESO=C(Nc1ccc2cccnc2c1)c1ccc(N2CCCNS2(=O)=O)cc1
InChIInChI=1S/C19H18N4O3S/c24-19(22-16-7-4-14-3-1-10-20-18(14)13-16)15-5-8-17(9-6-15)23-12-2-11-21-27(23,25)26/h1,3-10,13,21H,2,11-12H2,(H,22,24)
InChIKeyWDQBILBCDCOYKZ-UHFFFAOYSA-N
XLogP2.53
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide
CID 90130248
3-chloro-N-[5-[[4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzoyl]amino]-2-methylphenyl]benzamide
CID 118466518
4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(4-fluoro-3-isoquinolin-1-ylphenyl)benzamide
CID 118463170
N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide
CID 90130071
N-[4-chloro-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide
CID 90130277
N-[4-chloro-3-[4-(dimethylamino)phenyl]phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide
CID 90129886
N-[4-chloro-3-(4-chloro-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide
CID 118463175
N-(3,4-dichlorophenyl)quinoline-7-carboxamide
CID 142343714
5-(1,4-diazepan-1-yl)-N-quinolin-7-ylpyrazine-2-carboxamide
CID 166299507
4-(1,1-dioxothiazetidin-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide
CID 90129755
N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-2-methylbenzamide
CID 118466566
4-(1,1-dioxothiazinan-2-yl)-N-(3-quinolin-2-ylphenyl)benzamide
CID 90129813

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-quinolin-7-ylbenzamide?
The IUPAC name of 4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-quinolin-7-ylbenzamide (CID 118466685) is 4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-quinolin-7-ylbenzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-quinolin-7-ylbenzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-quinolin-7-ylbenzamide is O=C(Nc1ccc2cccnc2c1)c1ccc(N2CCCNS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-quinolin-7-ylbenzamide?
The InChIKey is WDQBILBCDCOYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c24-19(22-16-7-4-14-3-1-10-20-18(14)13-16)15-5-8-17(9-6-15)23-12-2-11-21-27(23,25)26/h1,3-10,13,21H,2,11-12H2,(H,22,24).
What are the key properties of 4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-quinolin-7-ylbenzamide?
4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-quinolin-7-ylbenzamide has a molecular weight of 382.45 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-quinolin-7-ylbenzamide is sourced from PubChem (CID 118466685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).