1-(3,4-dimethylphenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea

C22H23FN4O2 — CID 53110801

IUPAC1-(3,4-dimethylphenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea
SMILESCc1ccc(NC(=O)Nc2cc(F)c3nc(N4CCOCC4)ccc3c2)cc1C
InChIInChI=1S/C22H23FN4O2/c1-14-3-5-17(11-15(14)2)24-22(28)25-18-12-16-4-6-20(26-21(16)19(23)13-18)27-7-9-29-10-8-27/h3-6,11-13H,7-10H2,1-2H3,(H2,24,25,28)
InChIKeyVKSIIONXDQHXRO-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.47
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea

1-(3,4-dimethylphenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea (PubChem CID 53110801) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea
PubChem CID53110801
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name1-(3,4-dimethylphenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea
SMILESCc1ccc(NC(=O)Nc2cc(F)c3nc(N4CCOCC4)ccc3c2)cc1C
InChIInChI=1S/C22H23FN4O2/c1-14-3-5-17(11-15(14)2)24-22(28)25-18-12-16-4-6-20(26-21(16)19(23)13-18)27-7-9-29-10-8-27/h3-6,11-13H,7-10H2,1-2H3,(H2,24,25,28)
InChIKeyVKSIIONXDQHXRO-UHFFFAOYSA-N
XLogP4.47
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea
CID 53043861
1-(2-bromophenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea
CID 53110812
1-(4-chlorophenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea
CID 53110693
1-(3-chloro-4-fluorophenyl)-3-(8-fluoro-2-piperidin-1-ylquinolin-6-yl)urea
CID 53110758
1-(3-fluoro-4-methylphenyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea
CID 46288477
1-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-3-propylurea
CID 53110728
ethyl (3S)-3-[(8-fluoro-2-morpholin-4-ylquinolin-6-yl)carbamoylamino]-3-phenylpropanoate
CID 95086548
1-(3-fluoro-4-methylphenyl)-3-(6-morpholin-4-ylpyrimidin-4-yl)urea
CID 90544390
1-(4-ethoxyphenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea
CID 53110709
N-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-2-methylbenzamide
CID 50830209
1-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-3-[(4-methylphenyl)methyl]urea
CID 53110725
1-(5-chloro-2-methoxyphenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea
CID 53110700

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea (CID 53110801) is 1-(3,4-dimethylphenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea is Cc1ccc(NC(=O)Nc2cc(F)c3nc(N4CCOCC4)ccc3c2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea?
The InChIKey is VKSIIONXDQHXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-14-3-5-17(11-15(14)2)24-22(28)25-18-12-16-4-6-20(26-21(16)19(23)13-18)27-7-9-29-10-8-27/h3-6,11-13H,7-10H2,1-2H3,(H2,24,25,28).
What are the key properties of 1-(3,4-dimethylphenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea?
1-(3,4-dimethylphenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea has a molecular weight of 394.45 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea is sourced from PubChem (CID 53110801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).