1-(4-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea

C20H18N6O — CID 164612315

IUPAC1-(4-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea
SMILESCc1ccc(NC(=O)Nc2ccc3ncc(-c4ccn(C)n4)nc3c2)cc1
InChIInChI=1S/C20H18N6O/c1-13-3-5-14(6-4-13)22-20(27)23-15-7-8-16-18(11-15)24-19(12-21-16)17-9-10-26(2)25-17/h3-12H,1-2H3,(H2,22,23,27)
InChIKeyWCYSYKKHKROCDK-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.98
Rot. Bonds3

About 1-(4-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea

1-(4-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea (PubChem CID 164612315) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea
PubChem CID164612315
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name1-(4-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea
SMILESCc1ccc(NC(=O)Nc2ccc3ncc(-c4ccn(C)n4)nc3c2)cc1
InChIInChI=1S/C20H18N6O/c1-13-3-5-14(6-4-13)22-20(27)23-15-7-8-16-18(11-15)24-19(12-21-16)17-9-10-26(2)25-17/h3-12H,1-2H3,(H2,22,23,27)
InChIKeyWCYSYKKHKROCDK-UHFFFAOYSA-N
XLogP3.98
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylbenzotriazol-5-yl)-3-(4-methylphenyl)urea
CID 894194
1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 142602260
1-(3-bromophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-chlorophenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(3-methoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea;1-(4-methylphenyl)-3-[3-(1-methylpyrrol-3-yl)quinoxalin-6-yl]urea;1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 158138883
1-(4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 4885076
[2-(4-methylanilino)-2-oxoethyl] 1-methylpyrazole-3-carboxylate
CID 653594
1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide
CID 42110934
1-(2,4-dimethylphenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885528
1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea
CID 1485415
1-[4-[2-(2-aminoethoxy)ethoxy]-3-bromophenyl]-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea
CID 171060057
1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
CID 4256141
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(6-chloro-3-pyridinyl)-3-(4-methylphenyl)urea
CID 47433187

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea (CID 164612315) is 1-(4-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea is Cc1ccc(NC(=O)Nc2ccc3ncc(-c4ccn(C)n4)nc3c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea?
The InChIKey is WCYSYKKHKROCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-13-3-5-14(6-4-13)22-20(27)23-15-7-8-16-18(11-15)24-19(12-21-16)17-9-10-26(2)25-17/h3-12H,1-2H3,(H2,22,23,27).
What are the key properties of 1-(4-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea?
1-(4-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea has a molecular weight of 358.41 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[3-(1-methylpyrazol-3-yl)quinoxalin-6-yl]urea is sourced from PubChem (CID 164612315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).