1-cyclohexyl-3-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]urea

C28H36N6O3 — CID 50898764

IUPAC1-cyclohexyl-3-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]urea
SMILESO=C(Nc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)cc1)NC1CCCCC1
InChIInChI=1S/C28H36N6O3/c35-28(32-21-5-2-1-3-6-21)33-23-9-7-22(8-10-23)31-27-25-12-11-24(19-26(25)29-20-30-27)37-16-4-13-34-14-17-36-18-15-34/h7-12,19-21H,1-6,13-18H2,(H,29,30,31)(H2,32,33,35)
InChIKeyBVSXEPUYNGJRDW-UHFFFAOYSA-N
MW504.64 g/mol
LogP4.93
Rot. Bonds9

About 1-cyclohexyl-3-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]urea

1-cyclohexyl-3-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]urea (PubChem CID 50898764) has the molecular formula C28H36N6O3 and a molecular weight of 504.64 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]urea
PubChem CID50898764
Molecular FormulaC28H36N6O3
Molecular Weight504.64 g/mol
Exact Mass504.28
IUPAC Name1-cyclohexyl-3-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]urea
SMILESO=C(Nc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)cc1)NC1CCCCC1
InChIInChI=1S/C28H36N6O3/c35-28(32-21-5-2-1-3-6-21)33-23-9-7-22(8-10-23)31-27-25-12-11-24(19-26(25)29-20-30-27)37-16-4-13-34-14-17-36-18-15-34/h7-12,19-21H,1-6,13-18H2,(H,29,30,31)(H2,32,33,35)
InChIKeyBVSXEPUYNGJRDW-UHFFFAOYSA-N
XLogP4.93
TPSA100.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.64
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-3-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]urea with MolForge

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Related Compounds

7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54490718
1-benzyl-3-[4-[[7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]phenyl]urea
CID 50898684
2-[7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide
CID 91367110
3-methoxy-N-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]benzamide
CID 66550689
N-(4-morpholin-4-ylphenyl)-4-[7-(3-piperazin-1-ylpropoxy)quinazolin-4-yl]piperidine-1-carboxamide
CID 58770838
ethyl 6-[[7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]amino]-1-benzothiophene-3-carboxylate
CID 50898602
N-(4-morpholin-4-ylphenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperidine-1-carboxamide
CID 143371667
[1-[3-[4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinazolin-7-yl]oxypropyl]piperidin-4-yl]methyl dihydrogen phosphate
CID 59268791
N,N-dimethyl-4-[3-[4-[1-[(4-morpholin-4-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxypropyl]piperazine-1-carboxamide
CID 58770754
1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 25015279
1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 25014776
N-(2-aminophenyl)-4-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzamide
CID 71471023

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]urea (CID 50898764) is 1-cyclohexyl-3-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]urea is O=C(Nc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)cc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]urea?
The InChIKey is BVSXEPUYNGJRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O3/c35-28(32-21-5-2-1-3-6-21)33-23-9-7-22(8-10-23)31-27-25-12-11-24(19-26(25)29-20-30-27)37-16-4-13-34-14-17-36-18-15-34/h7-12,19-21H,1-6,13-18H2,(H,29,30,31)(H2,32,33,35).
What are the key properties of 1-cyclohexyl-3-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]urea?
1-cyclohexyl-3-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]urea has a molecular weight of 504.64 g/mol, XLogP of 4.93, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]urea is sourced from PubChem (CID 50898764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).