1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea

C25H25N3O4 — CID 650392

IUPAC1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O
InChIInChI=1S/C25H25N3O4/c1-16-11-17(2)23-18(12-16)13-19(24(29)27-23)14-28(15-20-7-6-10-32-20)25(30)26-21-8-4-5-9-22(21)31-3/h4-13H,14-15H2,1-3H3,(H,26,30)(H,27,29)
InChIKeySWINKHGANXBBSL-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.98
Rot. Bonds6

About 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea

1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea (PubChem CID 650392) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea
PubChem CID650392
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O
InChIInChI=1S/C25H25N3O4/c1-16-11-17(2)23-18(12-16)13-19(24(29)27-23)14-28(15-20-7-6-10-32-20)25(30)26-21-8-4-5-9-22(21)31-3/h4-13H,14-15H2,1-3H3,(H,26,30)(H,27,29)
InChIKeySWINKHGANXBBSL-UHFFFAOYSA-N
XLogP4.98
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea (CID 650392) is 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O.
What is the InChIKey of 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea?
The InChIKey is SWINKHGANXBBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-16-11-17(2)23-18(12-16)13-19(24(29)27-23)14-28(15-20-7-6-10-32-20)25(30)26-21-8-4-5-9-22(21)31-3/h4-13H,14-15H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea?
1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea has a molecular weight of 431.49 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 650392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).