1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(oxan-4-yl)urea

C16H23N3O4S — CID 110623289

IUPAC1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(oxan-4-yl)urea
SMILESCS(=O)(=O)N1CCCc2cc(NC(=O)NC3CCOCC3)ccc21
InChIInChI=1S/C16H23N3O4S/c1-24(21,22)19-8-2-3-12-11-14(4-5-15(12)19)18-16(20)17-13-6-9-23-10-7-13/h4-5,11,13H,2-3,6-10H2,1H3,(H2,17,18,20)
InChIKeyOYBPWOCMXPANQX-UHFFFAOYSA-N
MW353.44 g/mol
LogP1.70
Rot. Bonds3

About 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(oxan-4-yl)urea

1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(oxan-4-yl)urea (PubChem CID 110623289) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(oxan-4-yl)urea
PubChem CID110623289
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(oxan-4-yl)urea
SMILESCS(=O)(=O)N1CCCc2cc(NC(=O)NC3CCOCC3)ccc21
InChIInChI=1S/C16H23N3O4S/c1-24(21,22)19-8-2-3-12-11-14(4-5-15(12)19)18-16(20)17-13-6-9-23-10-7-13/h4-5,11,13H,2-3,6-10H2,1H3,(H2,17,18,20)
InChIKeyOYBPWOCMXPANQX-UHFFFAOYSA-N
XLogP1.70
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 110303929
N-cyclopropyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 7658172
methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 7658093
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)piperidine-4-carboxamide
CID 22690154
1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(oxan-4-yl)urea
CID 110623344
1-cyclohexyl-3-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)urea
CID 110639829
4-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657966
1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-cyclopentylurea
CID 20974765
2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657910
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 7658010
2-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7658004
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide
CID 7657945

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(oxan-4-yl)urea?
The IUPAC name of 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(oxan-4-yl)urea (CID 110623289) is 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(oxan-4-yl)urea?
The canonical SMILES for 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(oxan-4-yl)urea is CS(=O)(=O)N1CCCc2cc(NC(=O)NC3CCOCC3)ccc21.
What is the InChIKey of 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(oxan-4-yl)urea?
The InChIKey is OYBPWOCMXPANQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-24(21,22)19-8-2-3-12-11-14(4-5-15(12)19)18-16(20)17-13-6-9-23-10-7-13/h4-5,11,13H,2-3,6-10H2,1H3,(H2,17,18,20).
What are the key properties of 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(oxan-4-yl)urea?
1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(oxan-4-yl)urea has a molecular weight of 353.44 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(oxan-4-yl)urea is sourced from PubChem (CID 110623289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).