1-[(4-fluorophenyl)methyl]-3-(4-morpholin-4-yl-2-phenylquinolin-6-yl)urea

C27H25FN4O2 — CID 50836351

IUPAC1-[(4-fluorophenyl)methyl]-3-(4-morpholin-4-yl-2-phenylquinolin-6-yl)urea
SMILESO=C(NCc1ccc(F)cc1)Nc1ccc2nc(-c3ccccc3)cc(N3CCOCC3)c2c1
InChIInChI=1S/C27H25FN4O2/c28-21-8-6-19(7-9-21)18-29-27(33)30-22-10-11-24-23(16-22)26(32-12-14-34-15-13-32)17-25(31-24)20-4-2-1-3-5-20/h1-11,16-17H,12-15,18H2,(H2,29,30,33)
InChIKeyZMAHPIVWDJBBDN-UHFFFAOYSA-N
MW456.52 g/mol
LogP5.20
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-3-(4-morpholin-4-yl-2-phenylquinolin-6-yl)urea

1-[(4-fluorophenyl)methyl]-3-(4-morpholin-4-yl-2-phenylquinolin-6-yl)urea (PubChem CID 50836351) has the molecular formula C27H25FN4O2 and a molecular weight of 456.52 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(4-morpholin-4-yl-2-phenylquinolin-6-yl)urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(4-morpholin-4-yl-2-phenylquinolin-6-yl)urea
PubChem CID50836351
Molecular FormulaC27H25FN4O2
Molecular Weight456.52 g/mol
Exact Mass456.20
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(4-morpholin-4-yl-2-phenylquinolin-6-yl)urea
SMILESO=C(NCc1ccc(F)cc1)Nc1ccc2nc(-c3ccccc3)cc(N3CCOCC3)c2c1
InChIInChI=1S/C27H25FN4O2/c28-21-8-6-19(7-9-21)18-29-27(33)30-22-10-11-24-23(16-22)26(32-12-14-34-15-13-32)17-25(31-24)20-4-2-1-3-5-20/h1-11,16-17H,12-15,18H2,(H2,29,30,33)
InChIKeyZMAHPIVWDJBBDN-UHFFFAOYSA-N
XLogP5.20
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.52
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[6-[(4-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385090
methyl 2-[6-(benzylcarbamoylamino)-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827652
ethyl 2-[6-(benzylcarbamoylamino)-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827545
1-benzyl-3-(3-iodo-2H-indazol-5-yl)urea
CID 59023753
1-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-3-(pyridin-4-ylmethyl)urea
CID 163372167
methyl 2-[6-[(3-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385080
N-[(4-fluorophenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide
CID 108997897
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-[(4-fluorophenyl)methyl]urea
CID 30372619
1-benzyl-3-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827654
[2-[(4-fluorophenyl)methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 8006719
2-(4-fluorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 112799485
1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea
CID 51242905

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(4-morpholin-4-yl-2-phenylquinolin-6-yl)urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(4-morpholin-4-yl-2-phenylquinolin-6-yl)urea (CID 50836351) is 1-[(4-fluorophenyl)methyl]-3-(4-morpholin-4-yl-2-phenylquinolin-6-yl)urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(4-morpholin-4-yl-2-phenylquinolin-6-yl)urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(4-morpholin-4-yl-2-phenylquinolin-6-yl)urea is O=C(NCc1ccc(F)cc1)Nc1ccc2nc(-c3ccccc3)cc(N3CCOCC3)c2c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(4-morpholin-4-yl-2-phenylquinolin-6-yl)urea?
The InChIKey is ZMAHPIVWDJBBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O2/c28-21-8-6-19(7-9-21)18-29-27(33)30-22-10-11-24-23(16-22)26(32-12-14-34-15-13-32)17-25(31-24)20-4-2-1-3-5-20/h1-11,16-17H,12-15,18H2,(H2,29,30,33).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(4-morpholin-4-yl-2-phenylquinolin-6-yl)urea?
1-[(4-fluorophenyl)methyl]-3-(4-morpholin-4-yl-2-phenylquinolin-6-yl)urea has a molecular weight of 456.52 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(4-morpholin-4-yl-2-phenylquinolin-6-yl)urea is sourced from PubChem (CID 50836351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).