1-(2-methylquinolin-5-yl)-3-[4-(oxolan-2-yl)butyl]urea

C19H25N3O2 — CID 72895591

IUPAC1-(2-methylquinolin-5-yl)-3-[4-(oxolan-2-yl)butyl]urea
SMILESCc1ccc2c(NC(=O)NCCCCC3CCCO3)cccc2n1
InChIInChI=1S/C19H25N3O2/c1-14-10-11-16-17(21-14)8-4-9-18(16)22-19(23)20-12-3-2-6-15-7-5-13-24-15/h4,8-11,15H,2-3,5-7,12-13H2,1H3,(H2,20,22,23)
InChIKeyBDRNADCLIQBDSM-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.01
Rot. Bonds6

About 1-(2-methylquinolin-5-yl)-3-[4-(oxolan-2-yl)butyl]urea

1-(2-methylquinolin-5-yl)-3-[4-(oxolan-2-yl)butyl]urea (PubChem CID 72895591) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(2-methylquinolin-5-yl)-3-[4-(oxolan-2-yl)butyl]urea.

Molecular Properties

Compound Name1-(2-methylquinolin-5-yl)-3-[4-(oxolan-2-yl)butyl]urea
PubChem CID72895591
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-(2-methylquinolin-5-yl)-3-[4-(oxolan-2-yl)butyl]urea
SMILESCc1ccc2c(NC(=O)NCCCCC3CCCO3)cccc2n1
InChIInChI=1S/C19H25N3O2/c1-14-10-11-16-17(21-14)8-4-9-18(16)22-19(23)20-12-3-2-6-15-7-5-13-24-15/h4,8-11,15H,2-3,5-7,12-13H2,1H3,(H2,20,22,23)
InChIKeyBDRNADCLIQBDSM-UHFFFAOYSA-N
XLogP4.01
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.01
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

1-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(2-methylquinolin-5-yl)urea
CID 125163671
1-(1,4-dioxan-2-ylmethyl)-3-(2-methylquinolin-5-yl)urea
CID 118763416
2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide
CID 131899729
4-(2-amino-6-methyl-3-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
CID 126424281
6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide
CID 135119031
1-[4-(1H-benzimidazol-2-yl)phenyl]-3-[4-[(2R)-oxolan-2-yl]butyl]urea
CID 97438221
2-hydroxy-3-[2-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 104833640
N'-(2-methylquinolin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41453104
7-methyl-N-[4-[(2S)-oxolan-2-yl]butyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 126435888
N-[4-[(2R)-oxolan-2-yl]butyl]isoquinoline-1-carboxamide
CID 126435802
1-(5-methyl-1,2-oxazol-3-yl)-3-[2-[(2S)-oxolan-2-yl]ethyl]urea
CID 32532589
1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(oxolan-2-yl)ethyl]urea
CID 51076414

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylquinolin-5-yl)-3-[4-(oxolan-2-yl)butyl]urea?
The IUPAC name of 1-(2-methylquinolin-5-yl)-3-[4-(oxolan-2-yl)butyl]urea (CID 72895591) is 1-(2-methylquinolin-5-yl)-3-[4-(oxolan-2-yl)butyl]urea.
What is the SMILES notation for 1-(2-methylquinolin-5-yl)-3-[4-(oxolan-2-yl)butyl]urea?
The canonical SMILES for 1-(2-methylquinolin-5-yl)-3-[4-(oxolan-2-yl)butyl]urea is Cc1ccc2c(NC(=O)NCCCCC3CCCO3)cccc2n1.
What is the InChIKey of 1-(2-methylquinolin-5-yl)-3-[4-(oxolan-2-yl)butyl]urea?
The InChIKey is BDRNADCLIQBDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-10-11-16-17(21-14)8-4-9-18(16)22-19(23)20-12-3-2-6-15-7-5-13-24-15/h4,8-11,15H,2-3,5-7,12-13H2,1H3,(H2,20,22,23).
What are the key properties of 1-(2-methylquinolin-5-yl)-3-[4-(oxolan-2-yl)butyl]urea?
1-(2-methylquinolin-5-yl)-3-[4-(oxolan-2-yl)butyl]urea has a molecular weight of 327.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylquinolin-5-yl)-3-[4-(oxolan-2-yl)butyl]urea is sourced from PubChem (CID 72895591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).