1-benzyl-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea

C26H25N3O3 — CID 1467453

IUPAC1-benzyl-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCOc1ccccc1NC(=O)N(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C26H25N3O3/c1-18-9-8-12-20-15-21(25(30)28-24(18)20)17-29(16-19-10-4-3-5-11-19)26(31)27-22-13-6-7-14-23(22)32-2/h3-15H,16-17H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyAMRFPHDEYCENRD-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.08
Rot. Bonds6

About 1-benzyl-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea

1-benzyl-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (PubChem CID 1467453) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 1-benzyl-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
PubChem CID1467453
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name1-benzyl-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCOc1ccccc1NC(=O)N(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C26H25N3O3/c1-18-9-8-12-20-15-21(25(30)28-24(18)20)17-29(16-19-10-4-3-5-11-19)26(31)27-22-13-6-7-14-23(22)32-2/h3-15H,16-17H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyAMRFPHDEYCENRD-UHFFFAOYSA-N
XLogP5.08
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 1467506
3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]urea
CID 3194385
1-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1134277
3-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1467501
1-benzyl-3-(2-methoxyphenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1449303
1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)urea
CID 5095945
1-benzyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea
CID 1430433
1-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1449331
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(2-phenylethyl)urea
CID 1437316
1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea
CID 652316
1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea
CID 1138005
1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1467509

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The IUPAC name of 1-benzyl-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (CID 1467453) is 1-benzyl-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.
What is the SMILES notation for 1-benzyl-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The canonical SMILES for 1-benzyl-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is COc1ccccc1NC(=O)N(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O.
What is the InChIKey of 1-benzyl-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The InChIKey is AMRFPHDEYCENRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-18-9-8-12-20-15-21(25(30)28-24(18)20)17-29(16-19-10-4-3-5-11-19)26(31)27-22-13-6-7-14-23(22)32-2/h3-15H,16-17H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 1-benzyl-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
1-benzyl-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea has a molecular weight of 427.50 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is sourced from PubChem (CID 1467453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).