3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea

C14H17N3O3 — CID 110324804

IUPAC3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea
SMILESCOc1ccc2cc(CNC(=O)N(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C14H17N3O3/c1-17(2)14(19)15-8-10-6-9-4-5-11(20-3)7-12(9)16-13(10)18/h4-7H,8H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyUMFXZHGFLIXRSP-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.31
Rot. Bonds3

About 3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea

3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea (PubChem CID 110324804) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea
PubChem CID110324804
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea
SMILESCOc1ccc2cc(CNC(=O)N(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C14H17N3O3/c1-17(2)14(19)15-8-10-6-9-4-5-11(20-3)7-12(9)16-13(10)18/h4-7H,8H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyUMFXZHGFLIXRSP-UHFFFAOYSA-N
XLogP1.31
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea
CID 110325039
2-(4-chlorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324770
2-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324772
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110324791
2-(4-chlorophenoxy)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324775
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide
CID 110324806
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide
CID 110324808
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 4258688
2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 7136774
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324860
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-propylpentanamide
CID 4079737
2-ethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide
CID 3442794

Frequently Asked Questions

What is the IUPAC name of 3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea?
The IUPAC name of 3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea (CID 110324804) is 3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea is COc1ccc2cc(CNC(=O)N(C)C)c(=O)[nH]c2c1.
What is the InChIKey of 3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea?
The InChIKey is UMFXZHGFLIXRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-17(2)14(19)15-8-10-6-9-4-5-11(20-3)7-12(9)16-13(10)18/h4-7H,8H2,1-3H3,(H,15,19)(H,16,18).
What are the key properties of 3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea?
3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea has a molecular weight of 275.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea is sourced from PubChem (CID 110324804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).