3-(4-ethoxyphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propylurea

C22H25N3O3 — CID 50749471

IUPAC3-(4-ethoxyphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propylurea
SMILESCCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C22H25N3O3/c1-3-13-25(22(27)23-17-9-11-18(12-10-17)28-4-2)15-16-14-21(26)24-20-8-6-5-7-19(16)20/h5-12,14H,3-4,13,15H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyBXMXFEGEUVWCBT-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.37
Rot. Bonds7

About 3-(4-ethoxyphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propylurea

3-(4-ethoxyphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propylurea (PubChem CID 50749471) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propylurea.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propylurea
PubChem CID50749471
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-(4-ethoxyphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propylurea
SMILESCCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C22H25N3O3/c1-3-13-25(22(27)23-17-9-11-18(12-10-17)28-4-2)15-16-14-21(26)24-20-8-6-5-7-19(16)20/h5-12,14H,3-4,13,15H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyBXMXFEGEUVWCBT-UHFFFAOYSA-N
XLogP4.37
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-(2-methylpropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749499
3-(2,3-dimethylphenyl)-1-ethyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749278
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 32943769
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-methoxyphenyl)urea
CID 1430887
1-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 1430936
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]urea
CID 1454622
1-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea
CID 1430930
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]urea
CID 1437233
1-methyl-3-(3-methylsulfanylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea
CID 50749451
2-[4-(dipropylcarbamoylamino)phenoxy]acetic acid
CID 63770820
4-[(4-ethoxybenzoyl)amino]-N,N-dipropylbenzamide
CID 17196180
3-(4-methoxyphenyl)-1,1-dipropylurea
CID 3574765

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propylurea?
The IUPAC name of 3-(4-ethoxyphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propylurea (CID 50749471) is 3-(4-ethoxyphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propylurea.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propylurea?
The canonical SMILES for 3-(4-ethoxyphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propylurea is CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(OCC)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propylurea?
The InChIKey is BXMXFEGEUVWCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-13-25(22(27)23-17-9-11-18(12-10-17)28-4-2)15-16-14-21(26)24-20-8-6-5-7-19(16)20/h5-12,14H,3-4,13,15H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 3-(4-ethoxyphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propylurea?
3-(4-ethoxyphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propylurea has a molecular weight of 379.46 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propylurea is sourced from PubChem (CID 50749471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).