1-butyl-3-(2-methylquinolin-4-yl)urea

C15H19N3O — CID 115571496

IUPAC1-butyl-3-(2-methylquinolin-4-yl)urea
SMILESCCCCNC(=O)Nc1cc(C)nc2ccccc12
InChIInChI=1S/C15H19N3O/c1-3-4-9-16-15(19)18-14-10-11(2)17-13-8-6-5-7-12(13)14/h5-8,10H,3-4,9H2,1-2H3,(H2,16,17,18,19)
InChIKeyPCWJJTGQLIYPQI-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.46
Rot. Bonds4

About 1-butyl-3-(2-methylquinolin-4-yl)urea

1-butyl-3-(2-methylquinolin-4-yl)urea (PubChem CID 115571496) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-butyl-3-(2-methylquinolin-4-yl)urea.

Molecular Properties

Compound Name1-butyl-3-(2-methylquinolin-4-yl)urea
PubChem CID115571496
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-butyl-3-(2-methylquinolin-4-yl)urea
SMILESCCCCNC(=O)Nc1cc(C)nc2ccccc12
InChIInChI=1S/C15H19N3O/c1-3-4-9-16-15(19)18-14-10-11(2)17-13-8-6-5-7-12(13)14/h5-8,10H,3-4,9H2,1-2H3,(H2,16,17,18,19)
InChIKeyPCWJJTGQLIYPQI-UHFFFAOYSA-N
XLogP3.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]piperazine-1-carboxamide
CID 11407286
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide
CID 43146054
1-(2-methylquinolin-4-yl)-3-[2-(4-octylsulfonylpiperazin-1-yl)ethyl]urea
CID 11431799
3-(ethylamino)-N-(2-methylquinolin-4-yl)propanamide
CID 62833896
1-(2-methylquinolin-4-yl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 10150609
1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(2-methylquinolin-4-yl)urea
CID 167787672
(2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide
CID 61148862
1-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea
CID 11465185
N-[4-[(2-methylquinolin-4-yl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 75526048
2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide
CID 53319759
1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea
CID 21177304

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-methylquinolin-4-yl)urea?
The IUPAC name of 1-butyl-3-(2-methylquinolin-4-yl)urea (CID 115571496) is 1-butyl-3-(2-methylquinolin-4-yl)urea.
What is the SMILES notation for 1-butyl-3-(2-methylquinolin-4-yl)urea?
The canonical SMILES for 1-butyl-3-(2-methylquinolin-4-yl)urea is CCCCNC(=O)Nc1cc(C)nc2ccccc12.
What is the InChIKey of 1-butyl-3-(2-methylquinolin-4-yl)urea?
The InChIKey is PCWJJTGQLIYPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-4-9-16-15(19)18-14-10-11(2)17-13-8-6-5-7-12(13)14/h5-8,10H,3-4,9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-butyl-3-(2-methylquinolin-4-yl)urea?
1-butyl-3-(2-methylquinolin-4-yl)urea has a molecular weight of 257.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-methylquinolin-4-yl)urea is sourced from PubChem (CID 115571496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).