1-(2-ethoxyphenyl)-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea

C23H31N3O2 — CID 30379595

IUPAC1-(2-ethoxyphenyl)-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
SMILESCCCN1CCCc2cc(CCNC(=O)Nc3ccccc3OCC)ccc21
InChIInChI=1S/C23H31N3O2/c1-3-15-26-16-7-8-19-17-18(11-12-21(19)26)13-14-24-23(27)25-20-9-5-6-10-22(20)28-4-2/h5-6,9-12,17H,3-4,7-8,13-16H2,1-2H3,(H2,24,25,27)
InChIKeyRSESOIJYJCWJNP-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.61
Rot. Bonds8

About 1-(2-ethoxyphenyl)-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea

1-(2-ethoxyphenyl)-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea (PubChem CID 30379595) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
PubChem CID30379595
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name1-(2-ethoxyphenyl)-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
SMILESCCCN1CCCc2cc(CCNC(=O)Nc3ccccc3OCC)ccc21
InChIInChI=1S/C23H31N3O2/c1-3-15-26-16-7-8-19-17-18(11-12-21(19)26)13-14-24-23(27)25-20-9-5-6-10-22(20)28-4-2/h5-6,9-12,17H,3-4,7-8,13-16H2,1-2H3,(H2,24,25,27)
InChIKeyRSESOIJYJCWJNP-UHFFFAOYSA-N
XLogP4.61
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-ethoxyphenyl)-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea with MolForge

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Related Compounds

N'-(2-cyanophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837423
2-chloro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide
CID 16837170
1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258
3,4-dimethyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide
CID 16837172
N'-[(4-methylphenyl)methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837402
1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea
CID 17283504
1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 971052
N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 16837431
3,4,5-triethoxy-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide
CID 16837089
N'-(1,2-oxazol-3-yl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837421
1-cyclohexyl-3-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379388
1-(3-methoxyphenyl)-3-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379224

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea (CID 30379595) is 1-(2-ethoxyphenyl)-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea is CCCN1CCCc2cc(CCNC(=O)Nc3ccccc3OCC)ccc21.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea?
The InChIKey is RSESOIJYJCWJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-3-15-26-16-7-8-19-17-18(11-12-21(19)26)13-14-24-23(27)25-20-9-5-6-10-22(20)28-4-2/h5-6,9-12,17H,3-4,7-8,13-16H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-(2-ethoxyphenyl)-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea?
1-(2-ethoxyphenyl)-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea has a molecular weight of 381.52 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea is sourced from PubChem (CID 30379595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).