1-benzhydryl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea

C24H23N3O2 — CID 30376078

IUPAC1-benzhydryl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
SMILESCN1C(=O)CCc2cc(NC(=O)NC(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C24H23N3O2/c1-27-21-14-13-20(16-19(21)12-15-22(27)28)25-24(29)26-23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13-14,16,23H,12,15H2,1H3,(H2,25,26,29)
InChIKeyNGRRMTQMZZBZQB-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.51
Rot. Bonds4

About 1-benzhydryl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea

1-benzhydryl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea (PubChem CID 30376078) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-benzhydryl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
PubChem CID30376078
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name1-benzhydryl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
SMILESCN1C(=O)CCc2cc(NC(=O)NC(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C24H23N3O2/c1-27-21-14-13-20(16-19(21)12-15-22(27)28)25-24(29)26-23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13-14,16,23H,12,15H2,1H3,(H2,25,26,29)
InChIKeyNGRRMTQMZZBZQB-UHFFFAOYSA-N
XLogP4.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea
CID 30376036
1-(3,4-dichlorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376030
1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376046
2-chloro-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 27421932
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-thiophen-2-ylurea
CID 30376060
2-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 40805138
1-(1,3-benzodioxol-5-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376109
3-amino-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide
CID 115180262
4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 18571261
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide
CID 18571249
1-benzhydryl-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375491
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)cyclohexanecarboxamide
CID 40829137

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea?
The IUPAC name of 1-benzhydryl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea (CID 30376078) is 1-benzhydryl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea.
What is the SMILES notation for 1-benzhydryl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea?
The canonical SMILES for 1-benzhydryl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea is CN1C(=O)CCc2cc(NC(=O)NC(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of 1-benzhydryl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea?
The InChIKey is NGRRMTQMZZBZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-27-21-14-13-20(16-19(21)12-15-22(27)28)25-24(29)26-23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13-14,16,23H,12,15H2,1H3,(H2,25,26,29).
What are the key properties of 1-benzhydryl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea?
1-benzhydryl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea has a molecular weight of 385.47 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea is sourced from PubChem (CID 30376078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).