1-(4-hydroxycyclohexyl)-3-[2-(quinolin-2-ylamino)ethyl]urea

C18H24N4O2 — CID 47092532

IUPAC1-(4-hydroxycyclohexyl)-3-[2-(quinolin-2-ylamino)ethyl]urea
SMILESO=C(NCCNc1ccc2ccccc2n1)NC1CCC(O)CC1
InChIInChI=1S/C18H24N4O2/c23-15-8-6-14(7-9-15)21-18(24)20-12-11-19-17-10-5-13-3-1-2-4-16(13)22-17/h1-5,10,14-15,23H,6-9,11-12H2,(H,19,22)(H2,20,21,24)
InChIKeySGQSFVKJTPHBLE-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.25
Rot. Bonds5

About 1-(4-hydroxycyclohexyl)-3-[2-(quinolin-2-ylamino)ethyl]urea

1-(4-hydroxycyclohexyl)-3-[2-(quinolin-2-ylamino)ethyl]urea (PubChem CID 47092532) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-[2-(quinolin-2-ylamino)ethyl]urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-[2-(quinolin-2-ylamino)ethyl]urea
PubChem CID47092532
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-(4-hydroxycyclohexyl)-3-[2-(quinolin-2-ylamino)ethyl]urea
SMILESO=C(NCCNc1ccc2ccccc2n1)NC1CCC(O)CC1
InChIInChI=1S/C18H24N4O2/c23-15-8-6-14(7-9-15)21-18(24)20-12-11-19-17-10-5-13-3-1-2-4-16(13)22-17/h1-5,10,14-15,23H,6-9,11-12H2,(H,19,22)(H2,20,21,24)
InChIKeySGQSFVKJTPHBLE-UHFFFAOYSA-N
XLogP2.25
TPSA86.28 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N'-quinolin-2-ylpropane-1,3-diamine
CID 43599624
N-cycloheptyl-N'-quinolin-2-ylethane-1,2-diamine
CID 115306733
N-propyl-3-(quinolin-2-ylamino)propanamide
CID 61065980
1-(1,1-dioxothiolan-3-yl)-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111141002
2-[bis(2-hydroxyethyl)amino]-N-[2-(quinolin-2-ylamino)ethyl]acetamide
CID 125463812
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(quinolin-2-ylamino)ethyl]propanamide
CID 95348639
N',4-dimethyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide
CID 111211199
2-(cyclobutylmethyl)-1-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111079562
2-methyl-1-(2-methylcyclopropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111961988
4-chloro-2-fluoro-N-[2-(quinolin-2-ylamino)ethyl]benzamide
CID 86975020
1-(2-anilinoethyl)-3-cyclohexylurea
CID 22978773
N-(2-cyclohexylethyl)quinolin-2-amine
CID 55223452

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-[2-(quinolin-2-ylamino)ethyl]urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-[2-(quinolin-2-ylamino)ethyl]urea (CID 47092532) is 1-(4-hydroxycyclohexyl)-3-[2-(quinolin-2-ylamino)ethyl]urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-[2-(quinolin-2-ylamino)ethyl]urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-[2-(quinolin-2-ylamino)ethyl]urea is O=C(NCCNc1ccc2ccccc2n1)NC1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-[2-(quinolin-2-ylamino)ethyl]urea?
The InChIKey is SGQSFVKJTPHBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-15-8-6-14(7-9-15)21-18(24)20-12-11-19-17-10-5-13-3-1-2-4-16(13)22-17/h1-5,10,14-15,23H,6-9,11-12H2,(H,19,22)(H2,20,21,24).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-[2-(quinolin-2-ylamino)ethyl]urea?
1-(4-hydroxycyclohexyl)-3-[2-(quinolin-2-ylamino)ethyl]urea has a molecular weight of 328.42 g/mol, XLogP of 2.25, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-[2-(quinolin-2-ylamino)ethyl]urea is sourced from PubChem (CID 47092532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).