1,1-dimethyl-3-[3-(quinolin-2-ylmethoxy)phenyl]urea

C19H19N3O2 — CID 67888713

IUPAC1,1-dimethyl-3-[3-(quinolin-2-ylmethoxy)phenyl]urea
SMILESCN(C)C(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C19H19N3O2/c1-22(2)19(23)21-15-7-5-8-17(12-15)24-13-16-11-10-14-6-3-4-9-18(14)20-16/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyCMXRODHTQNETQQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.91
Rot. Bonds4

About 1,1-dimethyl-3-[3-(quinolin-2-ylmethoxy)phenyl]urea

1,1-dimethyl-3-[3-(quinolin-2-ylmethoxy)phenyl]urea (PubChem CID 67888713) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1,1-dimethyl-3-[3-(quinolin-2-ylmethoxy)phenyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[3-(quinolin-2-ylmethoxy)phenyl]urea
PubChem CID67888713
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1,1-dimethyl-3-[3-(quinolin-2-ylmethoxy)phenyl]urea
SMILESCN(C)C(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C19H19N3O2/c1-22(2)19(23)21-15-7-5-8-17(12-15)24-13-16-11-10-14-6-3-4-9-18(14)20-16/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyCMXRODHTQNETQQ-UHFFFAOYSA-N
XLogP3.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]quinoline
CID 14548115
(2S)-2-phenyl-2-[3-(quinolin-2-ylmethoxy)anilino]acetic acid
CID 57268488
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
CID 18727386
1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one
CID 59117230
[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
CID 43327889
3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea
CID 79154063
3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid
CID 57172256
methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
CID 23224644
2-methyl-3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616027
2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
CID 67896812

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[3-(quinolin-2-ylmethoxy)phenyl]urea?
The IUPAC name of 1,1-dimethyl-3-[3-(quinolin-2-ylmethoxy)phenyl]urea (CID 67888713) is 1,1-dimethyl-3-[3-(quinolin-2-ylmethoxy)phenyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[3-(quinolin-2-ylmethoxy)phenyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[3-(quinolin-2-ylmethoxy)phenyl]urea is CN(C)C(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 1,1-dimethyl-3-[3-(quinolin-2-ylmethoxy)phenyl]urea?
The InChIKey is CMXRODHTQNETQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-22(2)19(23)21-15-7-5-8-17(12-15)24-13-16-11-10-14-6-3-4-9-18(14)20-16/h3-12H,13H2,1-2H3,(H,21,23).
What are the key properties of 1,1-dimethyl-3-[3-(quinolin-2-ylmethoxy)phenyl]urea?
1,1-dimethyl-3-[3-(quinolin-2-ylmethoxy)phenyl]urea has a molecular weight of 321.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[3-(quinolin-2-ylmethoxy)phenyl]urea is sourced from PubChem (CID 67888713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).