1-(8-methylquinolin-5-yl)-3-(3-pyrrolidin-1-ylpropyl)urea

C18H24N4O — CID 72861388

IUPAC1-(8-methylquinolin-5-yl)-3-(3-pyrrolidin-1-ylpropyl)urea
SMILESCc1ccc(NC(=O)NCCCN2CCCC2)c2cccnc12
InChIInChI=1S/C18H24N4O/c1-14-7-8-16(15-6-4-9-19-17(14)15)21-18(23)20-10-5-13-22-11-2-3-12-22/h4,6-9H,2-3,5,10-13H2,1H3,(H2,20,21,23)
InChIKeyWUXWOLLKKKKJIH-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.15
Rot. Bonds5

About 1-(8-methylquinolin-5-yl)-3-(3-pyrrolidin-1-ylpropyl)urea

1-(8-methylquinolin-5-yl)-3-(3-pyrrolidin-1-ylpropyl)urea (PubChem CID 72861388) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-(8-methylquinolin-5-yl)-3-(3-pyrrolidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(8-methylquinolin-5-yl)-3-(3-pyrrolidin-1-ylpropyl)urea
PubChem CID72861388
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-(8-methylquinolin-5-yl)-3-(3-pyrrolidin-1-ylpropyl)urea
SMILESCc1ccc(NC(=O)NCCCN2CCCC2)c2cccnc12
InChIInChI=1S/C18H24N4O/c1-14-7-8-16(15-6-4-9-19-17(14)15)21-18(23)20-10-5-13-22-11-2-3-12-22/h4,6-9H,2-3,5,10-13H2,1H3,(H2,20,21,23)
InChIKeyWUXWOLLKKKKJIH-UHFFFAOYSA-N
XLogP3.15
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-pyrrolidin-1-ylpropylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743602
2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide
CID 47033502
1-(8-methylquinolin-5-yl)-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea
CID 72929088
5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine
CID 62991925
N-(7,8-dimethylquinolin-5-yl)-2-pyrrolidin-1-ylacetamide
CID 155953753
1-(3-methyl-2-pyridinyl)-3-(3-piperidin-1-ylpropyl)thiourea
CID 100621309
N-(8-methylquinolin-5-yl)-2-oxo-2-(1,4-thiazepan-4-yl)acetamide
CID 71938723
2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 53144407
1-butyl-3-(5-chloroquinolin-8-yl)urea
CID 47201926
1-(8-chloroquinolin-5-yl)-3-[(3R)-3-(4-methylpiperazin-1-yl)butyl]urea
CID 125164986
1-(2-methoxy-3-pyridinyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 55744742
3-methyl-4-(2-pyrrolidin-1-ylethylcarbamoylamino)benzoic acid
CID 62635338

Frequently Asked Questions

What is the IUPAC name of 1-(8-methylquinolin-5-yl)-3-(3-pyrrolidin-1-ylpropyl)urea?
The IUPAC name of 1-(8-methylquinolin-5-yl)-3-(3-pyrrolidin-1-ylpropyl)urea (CID 72861388) is 1-(8-methylquinolin-5-yl)-3-(3-pyrrolidin-1-ylpropyl)urea.
What is the SMILES notation for 1-(8-methylquinolin-5-yl)-3-(3-pyrrolidin-1-ylpropyl)urea?
The canonical SMILES for 1-(8-methylquinolin-5-yl)-3-(3-pyrrolidin-1-ylpropyl)urea is Cc1ccc(NC(=O)NCCCN2CCCC2)c2cccnc12.
What is the InChIKey of 1-(8-methylquinolin-5-yl)-3-(3-pyrrolidin-1-ylpropyl)urea?
The InChIKey is WUXWOLLKKKKJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-7-8-16(15-6-4-9-19-17(14)15)21-18(23)20-10-5-13-22-11-2-3-12-22/h4,6-9H,2-3,5,10-13H2,1H3,(H2,20,21,23).
What are the key properties of 1-(8-methylquinolin-5-yl)-3-(3-pyrrolidin-1-ylpropyl)urea?
1-(8-methylquinolin-5-yl)-3-(3-pyrrolidin-1-ylpropyl)urea has a molecular weight of 312.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methylquinolin-5-yl)-3-(3-pyrrolidin-1-ylpropyl)urea is sourced from PubChem (CID 72861388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).