1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-benzylurea

C23H23N3O3S — CID 30374124

IUPAC1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-benzylurea
SMILESO=C(NCc1ccccc1)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H23N3O3S/c27-23(24-17-18-8-3-1-4-9-18)25-20-13-14-22-19(16-20)10-7-15-26(22)30(28,29)21-11-5-2-6-12-21/h1-6,8-9,11-14,16H,7,10,15,17H2,(H2,24,25,27)
InChIKeyLIPMWGIXSNGKRS-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.15
Rot. Bonds5

About 1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-benzylurea

1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-benzylurea (PubChem CID 30374124) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-benzylurea.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-benzylurea
PubChem CID30374124
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-benzylurea
SMILESO=C(NCc1ccccc1)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H23N3O3S/c27-23(24-17-18-8-3-1-4-9-18)25-20-13-14-22-19(16-20)10-7-15-26(22)30(28,29)21-11-5-2-6-12-21/h1-6,8-9,11-14,16H,7,10,15,17H2,(H2,24,25,27)
InChIKeyLIPMWGIXSNGKRS-UHFFFAOYSA-N
XLogP4.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 7658096
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-1-carboxamide
CID 16834808
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chloro-2,2-dimethylpropanamide
CID 7657700
1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-cyclopentylurea
CID 20974765
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chlorobenzamide
CID 18584172
1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-chlorophenyl)urea
CID 30372801
1-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-(naphthalen-1-ylmethyl)urea
CID 30373104
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-4-butoxybenzamide
CID 27621749
1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3,4-dimethoxyphenyl)urea
CID 46389771
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxyethanesulfonamide
CID 7498951
1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3-chloro-2-methylphenyl)urea
CID 46389785
1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]urea
CID 30374549

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-benzylurea?
The IUPAC name of 1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-benzylurea (CID 30374124) is 1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-benzylurea.
What is the SMILES notation for 1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-benzylurea?
The canonical SMILES for 1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-benzylurea is O=C(NCc1ccccc1)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-benzylurea?
The InChIKey is LIPMWGIXSNGKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c27-23(24-17-18-8-3-1-4-9-18)25-20-13-14-22-19(16-20)10-7-15-26(22)30(28,29)21-11-5-2-6-12-21/h1-6,8-9,11-14,16H,7,10,15,17H2,(H2,24,25,27).
What are the key properties of 1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-benzylurea?
1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-benzylurea has a molecular weight of 421.52 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-benzylurea is sourced from PubChem (CID 30374124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).