1-(3-fluoro-4-methylphenyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea

C22H23FN4O2 — CID 46288477

IUPAC1-(3-fluoro-4-methylphenyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)cc1F
InChIInChI=1S/C22H23FN4O2/c1-14-3-4-17(13-19(14)23)25-22(28)24-16-5-6-20-18(12-16)15(2)11-21(26-20)27-7-9-29-10-8-27/h3-6,11-13H,7-10H2,1-2H3,(H2,24,25,28)
InChIKeyWKSBYTCDYIMVGY-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.47
Rot. Bonds3

About 1-(3-fluoro-4-methylphenyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea

1-(3-fluoro-4-methylphenyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea (PubChem CID 46288477) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea
PubChem CID46288477
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)cc1F
InChIInChI=1S/C22H23FN4O2/c1-14-3-4-17(13-19(14)23)25-22(28)24-16-5-6-20-18(12-16)15(2)11-21(26-20)27-7-9-29-10-8-27/h3-6,11-13H,7-10H2,1-2H3,(H2,24,25,28)
InChIKeyWKSBYTCDYIMVGY-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

Analyze 1-(3-fluoro-4-methylphenyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea with MolForge

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea
CID 46288486
ethyl 2-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)carbamoylamino]acetate
CID 46288473
2-ethyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanamide
CID 46364051
2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide
CID 5067109
1-(3-fluoro-4-methylphenyl)-3-(6-morpholin-4-ylpyrimidin-4-yl)urea
CID 90544390
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)pyridine-2-carboxamide
CID 4662676
1-(2-methoxyethyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)thiourea
CID 4195707
N-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426993
N-[2-(dimethylamino)ethyl]-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426968
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-(4-methylphenoxy)acetamide
CID 126478908
1-(3,4-dimethylphenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea
CID 53110801
N-[4-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinolin-6-yl]acetamide
CID 50825427

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea (CID 46288477) is 1-(3-fluoro-4-methylphenyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea is Cc1ccc(NC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea?
The InChIKey is WKSBYTCDYIMVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-14-3-4-17(13-19(14)23)25-22(28)24-16-5-6-20-18(12-16)15(2)11-21(26-20)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-fluoro-4-methylphenyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea?
1-(3-fluoro-4-methylphenyl)-3-(4-methyl-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-fluoro-4-methylphenyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea is sourced from PubChem (CID 46288477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).