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

C20H31N3O — CID 30379388

IUPAC1-cyclohexyl-3-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
SMILESCCN1CCCc2cc(CCNC(=O)NC3CCCCC3)ccc21
InChIInChI=1S/C20H31N3O/c1-2-23-14-6-7-17-15-16(10-11-19(17)23)12-13-21-20(24)22-18-8-4-3-5-9-18/h10-11,15,18H,2-9,12-14H2,1H3,(H2,21,22,24)
InChIKeyBPMKGFOTIRYRNZ-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.63
Rot. Bonds5

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

1-cyclohexyl-3-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea (PubChem CID 30379388) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
PubChem CID30379388
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name1-cyclohexyl-3-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
SMILESCCN1CCCc2cc(CCNC(=O)NC3CCCCC3)ccc21
InChIInChI=1S/C20H31N3O/c1-2-23-14-6-7-17-15-16(10-11-19(17)23)12-13-21-20(24)22-18-8-4-3-5-9-18/h10-11,15,18H,2-9,12-14H2,1H3,(H2,21,22,24)
InChIKeyBPMKGFOTIRYRNZ-UHFFFAOYSA-N
XLogP3.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

1-cyclopentyl-3-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]urea
CID 110775819
N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837305
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509
N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(3-fluoro-4-methylphenyl)oxamide
CID 16837538
1-(2-ethoxyphenyl)-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379595
1-benzhydryl-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379546
1-cyclopentyl-3-[2-(4-ethylsulfanylphenyl)ethyl]urea
CID 110776107
1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108887610
1-cyclopentyl-3-[2-(4-ethylsulfonylphenyl)ethyl]urea
CID 110776114
1-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea
CID 110775638
1-cyclohexyl-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea
CID 110775706
N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide
CID 16837312

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea (CID 30379388) is 1-cyclohexyl-3-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea is CCN1CCCc2cc(CCNC(=O)NC3CCCCC3)ccc21.
What is the InChIKey of 1-cyclohexyl-3-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea?
The InChIKey is BPMKGFOTIRYRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-2-23-14-6-7-17-15-16(10-11-19(17)23)12-13-21-20(24)22-18-8-4-3-5-9-18/h10-11,15,18H,2-9,12-14H2,1H3,(H2,21,22,24).
What are the key properties of 1-cyclohexyl-3-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea?
1-cyclohexyl-3-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea has a molecular weight of 329.49 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea is sourced from PubChem (CID 30379388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).