3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea

C15H19N3O4 — CID 110325039

IUPAC3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea
SMILESCOc1cc2cc(CNC(=O)N(C)C)c(=O)[nH]c2cc1OC
InChIInChI=1S/C15H19N3O4/c1-18(2)15(20)16-8-10-5-9-6-12(21-3)13(22-4)7-11(9)17-14(10)19/h5-7H,8H2,1-4H3,(H,16,20)(H,17,19)
InChIKeyFPLARDKTZCHOSD-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.32
Rot. Bonds4

About 3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea

3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea (PubChem CID 110325039) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea
PubChem CID110325039
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea
SMILESCOc1cc2cc(CNC(=O)N(C)C)c(=O)[nH]c2cc1OC
InChIInChI=1S/C15H19N3O4/c1-18(2)15(20)16-8-10-5-9-6-12(21-3)13(22-4)7-11(9)17-14(10)19/h5-7H,8H2,1-4H3,(H,16,20)(H,17,19)
InChIKeyFPLARDKTZCHOSD-UHFFFAOYSA-N
XLogP1.32
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110324982
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324984
3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea
CID 110324804
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide
CID 110324991
3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]urea
CID 1437384
3-(anilinomethyl)-6,7-dimethoxy-1H-quinolin-2-one
CID 75527524
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(2-methylpropyl)propanamide
CID 110298935
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methylbutyl)propanamide
CID 110298971
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326114
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)urea
CID 3194838
4-chloro-N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326133
2-(3,4-dimethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324558

Frequently Asked Questions

What is the IUPAC name of 3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea?
The IUPAC name of 3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea (CID 110325039) is 3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea is COc1cc2cc(CNC(=O)N(C)C)c(=O)[nH]c2cc1OC.
What is the InChIKey of 3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea?
The InChIKey is FPLARDKTZCHOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-18(2)15(20)16-8-10-5-9-6-12(21-3)13(22-4)7-11(9)17-14(10)19/h5-7H,8H2,1-4H3,(H,16,20)(H,17,19).
What are the key properties of 3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea?
3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea has a molecular weight of 305.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea is sourced from PubChem (CID 110325039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).