1-(2-ethylquinolin-4-yl)-3-[2-(3-methyl-2-pyridinyl)ethyl]urea

C20H22N4O — CID 146095631

IUPAC1-(2-ethylquinolin-4-yl)-3-[2-(3-methyl-2-pyridinyl)ethyl]urea
SMILESCCc1cc(NC(=O)NCCc2ncccc2C)c2ccccc2n1
InChIInChI=1S/C20H22N4O/c1-3-15-13-19(16-8-4-5-9-18(16)23-15)24-20(25)22-12-10-17-14(2)7-6-11-21-17/h4-9,11,13H,3,10,12H2,1-2H3,(H2,22,23,24,25)
InChIKeyDIJFGUBLAXACIN-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.86
Rot. Bonds5

About 1-(2-ethylquinolin-4-yl)-3-[2-(3-methyl-2-pyridinyl)ethyl]urea

1-(2-ethylquinolin-4-yl)-3-[2-(3-methyl-2-pyridinyl)ethyl]urea (PubChem CID 146095631) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(2-ethylquinolin-4-yl)-3-[2-(3-methyl-2-pyridinyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-ethylquinolin-4-yl)-3-[2-(3-methyl-2-pyridinyl)ethyl]urea
PubChem CID146095631
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-(2-ethylquinolin-4-yl)-3-[2-(3-methyl-2-pyridinyl)ethyl]urea
SMILESCCc1cc(NC(=O)NCCc2ncccc2C)c2ccccc2n1
InChIInChI=1S/C20H22N4O/c1-3-15-13-19(16-8-4-5-9-18(16)23-15)24-20(25)22-12-10-17-14(2)7-6-11-21-17/h4-9,11,13H,3,10,12H2,1-2H3,(H2,22,23,24,25)
InChIKeyDIJFGUBLAXACIN-UHFFFAOYSA-N
XLogP3.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-ethylquinolin-4-yl)-3-[2-(3-methyl-2-pyridinyl)ethyl]urea with MolForge

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Related Compounds

1-butyl-3-(2-methylquinolin-4-yl)urea
CID 115571496
1-(2-ethylquinolin-4-yl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 124728310
1-(2-ethylquinolin-4-yl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]urea
CID 146109489
4-[3-(3-methyl-2-pyridinyl)propylcarbamoylamino]butanoic acid
CID 122016399
2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide
CID 47033502
4-[2-(3-methyl-2-pyridinyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122016458
1-[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-methylphenyl)urea
CID 50788040
N-(2-ethylquinolin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 75450815
3-[2-[(2-ethylquinolin-4-yl)amino]ethyl]-N,N-dimethylbenzamide
CID 133402369
1-(2-methylquinolin-4-yl)-3-[2-[4-(quinoline-6-carbonyl)piperazin-1-yl]ethyl]urea
CID 11442740
1-(2-methylphenyl)-3-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53019866
N-(2-ethylquinolin-4-yl)-4-methyl-2-oxopiperidine-4-carboxamide
CID 136570287

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylquinolin-4-yl)-3-[2-(3-methyl-2-pyridinyl)ethyl]urea?
The IUPAC name of 1-(2-ethylquinolin-4-yl)-3-[2-(3-methyl-2-pyridinyl)ethyl]urea (CID 146095631) is 1-(2-ethylquinolin-4-yl)-3-[2-(3-methyl-2-pyridinyl)ethyl]urea.
What is the SMILES notation for 1-(2-ethylquinolin-4-yl)-3-[2-(3-methyl-2-pyridinyl)ethyl]urea?
The canonical SMILES for 1-(2-ethylquinolin-4-yl)-3-[2-(3-methyl-2-pyridinyl)ethyl]urea is CCc1cc(NC(=O)NCCc2ncccc2C)c2ccccc2n1.
What is the InChIKey of 1-(2-ethylquinolin-4-yl)-3-[2-(3-methyl-2-pyridinyl)ethyl]urea?
The InChIKey is DIJFGUBLAXACIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-3-15-13-19(16-8-4-5-9-18(16)23-15)24-20(25)22-12-10-17-14(2)7-6-11-21-17/h4-9,11,13H,3,10,12H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 1-(2-ethylquinolin-4-yl)-3-[2-(3-methyl-2-pyridinyl)ethyl]urea?
1-(2-ethylquinolin-4-yl)-3-[2-(3-methyl-2-pyridinyl)ethyl]urea has a molecular weight of 334.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylquinolin-4-yl)-3-[2-(3-methyl-2-pyridinyl)ethyl]urea is sourced from PubChem (CID 146095631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).