1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(2-quinolin-6-ylethyl)urea

C24H22N4O — CID 67053039

IUPAC1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(2-quinolin-6-ylethyl)urea
SMILESCc1cc(-c2ccc(NC(=O)NCCc3ccc4ncccc4c3)cc2)ccn1
InChIInChI=1S/C24H22N4O/c1-17-15-20(11-14-25-17)19-5-7-22(8-6-19)28-24(29)27-13-10-18-4-9-23-21(16-18)3-2-12-26-23/h2-9,11-12,14-16H,10,13H2,1H3,(H2,27,28,29)
InChIKeyHXFHTQQLHXNGSB-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.97
Rot. Bonds5

About 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(2-quinolin-6-ylethyl)urea

1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(2-quinolin-6-ylethyl)urea (PubChem CID 67053039) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(2-quinolin-6-ylethyl)urea.

Molecular Properties

Compound Name1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(2-quinolin-6-ylethyl)urea
PubChem CID67053039
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(2-quinolin-6-ylethyl)urea
SMILESCc1cc(-c2ccc(NC(=O)NCCc3ccc4ncccc4c3)cc2)ccn1
InChIInChI=1S/C24H22N4O/c1-17-15-20(11-14-25-17)19-5-7-22(8-6-19)28-24(29)27-13-10-18-4-9-23-21(16-18)3-2-12-26-23/h2-9,11-12,14-16H,10,13H2,1H3,(H2,27,28,29)
InChIKeyHXFHTQQLHXNGSB-UHFFFAOYSA-N
XLogP4.97
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(2-quinolin-6-ylethyl)urea with MolForge

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Related Compounds

1-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053167
1-[4-[(R)-methylsulfinyl]phenyl]-3-(quinolin-6-ylmethyl)urea
CID 124626677
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylacetamide
CID 67308361
1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053153
1-[2-fluoro-2-(2-methylphenyl)propyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053109
4-amino-N-(2-quinolin-6-ylethyl)bicyclo[2.2.2]octane-1-carboxamide
CID 167842749
1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975869
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012
2-methyl-N-(2-quinolin-6-ylethyl)propan-2-amine
CID 62549001
2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-quinolin-6-yl-1,2,4-triazol-3-amine
CID 145293382
1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 770306
6-methyl-N-[3-(3-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide
CID 138674427

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(2-quinolin-6-ylethyl)urea?
The IUPAC name of 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(2-quinolin-6-ylethyl)urea (CID 67053039) is 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(2-quinolin-6-ylethyl)urea.
What is the SMILES notation for 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(2-quinolin-6-ylethyl)urea?
The canonical SMILES for 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(2-quinolin-6-ylethyl)urea is Cc1cc(-c2ccc(NC(=O)NCCc3ccc4ncccc4c3)cc2)ccn1.
What is the InChIKey of 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(2-quinolin-6-ylethyl)urea?
The InChIKey is HXFHTQQLHXNGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-17-15-20(11-14-25-17)19-5-7-22(8-6-19)28-24(29)27-13-10-18-4-9-23-21(16-18)3-2-12-26-23/h2-9,11-12,14-16H,10,13H2,1H3,(H2,27,28,29).
What are the key properties of 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(2-quinolin-6-ylethyl)urea?
1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(2-quinolin-6-ylethyl)urea has a molecular weight of 382.47 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(2-quinolin-6-ylethyl)urea is sourced from PubChem (CID 67053039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).