1-(oxolan-2-ylmethyl)-3-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)urea

C18H27N3O4S — CID 91812719

IUPAC1-(oxolan-2-ylmethyl)-3-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)urea
SMILESCCCS(=O)(=O)N1CCCc2cc(NC(=O)NCC3CCCO3)ccc21
InChIInChI=1S/C18H27N3O4S/c1-2-11-26(23,24)21-9-3-5-14-12-15(7-8-17(14)21)20-18(22)19-13-16-6-4-10-25-16/h7-8,12,16H,2-6,9-11,13H2,1H3,(H2,19,20,22)
InChIKeyHJTQEEPGVLHDLE-UHFFFAOYSA-N
MW381.50 g/mol
LogP2.48
Rot. Bonds6

About 1-(oxolan-2-ylmethyl)-3-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)urea

1-(oxolan-2-ylmethyl)-3-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)urea (PubChem CID 91812719) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)urea.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-3-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)urea
PubChem CID91812719
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name1-(oxolan-2-ylmethyl)-3-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)urea
SMILESCCCS(=O)(=O)N1CCCc2cc(NC(=O)NCC3CCCO3)ccc21
InChIInChI=1S/C18H27N3O4S/c1-2-11-26(23,24)21-9-3-5-14-12-15(7-8-17(14)21)20-18(22)19-13-16-6-4-10-25-16/h7-8,12,16H,2-6,9-11,13H2,1H3,(H2,19,20,22)
InChIKeyHJTQEEPGVLHDLE-UHFFFAOYSA-N
XLogP2.48
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3-(oxolan-2-ylmethyl)urea
CID 91812701
N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7688075
4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27637203
1-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(oxolan-2-ylmethyl)urea
CID 91812735
3,4-diethoxy-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27637193
2,5-dichloro-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16834941
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94167086
1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea
CID 30374225
1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(oxan-4-yl)urea
CID 110623289
1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 108875185
1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94783824
N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
CID 27620897

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-3-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)urea?
The IUPAC name of 1-(oxolan-2-ylmethyl)-3-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)urea (CID 91812719) is 1-(oxolan-2-ylmethyl)-3-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)urea.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-3-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)urea?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-3-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)urea is CCCS(=O)(=O)N1CCCc2cc(NC(=O)NCC3CCCO3)ccc21.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-3-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)urea?
The InChIKey is HJTQEEPGVLHDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-2-11-26(23,24)21-9-3-5-14-12-15(7-8-17(14)21)20-18(22)19-13-16-6-4-10-25-16/h7-8,12,16H,2-6,9-11,13H2,1H3,(H2,19,20,22).
What are the key properties of 1-(oxolan-2-ylmethyl)-3-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)urea?
1-(oxolan-2-ylmethyl)-3-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)urea has a molecular weight of 381.50 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-3-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)urea is sourced from PubChem (CID 91812719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).