N-benzyl-3-[5-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxybenzamide

C30H32N4O5 — CID 118101377

IUPACN-benzyl-3-[5-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxybenzamide
SMILESCOc1cc(OCCCN2CCOCC2)cc2ncnc(Oc3cccc(C(=O)NCc4ccccc4)c3)c12
InChIInChI=1S/C30H32N4O5/c1-36-27-19-25(38-14-6-11-34-12-15-37-16-13-34)18-26-28(27)30(33-21-32-26)39-24-10-5-9-23(17-24)29(35)31-20-22-7-3-2-4-8-22/h2-5,7-10,17-19,21H,6,11-16,20H2,1H3,(H,31,35)
InChIKeyJSWJXWTTYPJUNZ-UHFFFAOYSA-N
MW528.61 g/mol
LogP4.46
Rot. Bonds11

About N-benzyl-3-[5-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxybenzamide

N-benzyl-3-[5-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxybenzamide (PubChem CID 118101377) has the molecular formula C30H32N4O5 and a molecular weight of 528.61 g/mol. Its IUPAC name is N-benzyl-3-[5-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-benzyl-3-[5-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxybenzamide
PubChem CID118101377
Molecular FormulaC30H32N4O5
Molecular Weight528.61 g/mol
Exact Mass528.24
IUPAC NameN-benzyl-3-[5-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxybenzamide
SMILESCOc1cc(OCCCN2CCOCC2)cc2ncnc(Oc3cccc(C(=O)NCc4ccccc4)c3)c12
InChIInChI=1S/C30H32N4O5/c1-36-27-19-25(38-14-6-11-34-12-15-37-16-13-34)18-26-28(27)30(33-21-32-26)39-24-10-5-9-23(17-24)29(35)31-20-22-7-3-2-4-8-22/h2-5,7-10,17-19,21H,6,11-16,20H2,1H3,(H,31,35)
InChIKeyJSWJXWTTYPJUNZ-UHFFFAOYSA-N
XLogP4.46
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.61
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-benzyl-3-[5-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-3-methoxy-N-[5-(3-morpholin-4-ylpropoxy)-7-phenylmethoxyquinazolin-4-yl]benzamide
CID 174448103
4-N-[(3-methoxyphenyl)methyl]-6-N-[[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide
CID 58784359
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
3-methoxy-N-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]benzamide
CID 66550689
3-[3-(1,4-oxazepan-4-yl)propoxy]benzoic acid
CID 63075111
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylmethoxybenzamide
CID 18283258
1-[(4-fluorophenyl)methyl]-3-[4-[[5-(3-morpholin-4-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]-2-(trifluoromethyl)phenyl]urea
CID 146438740
4-methoxy-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylmethoxybenzamide
CID 141436173
1-[2-(2-methoxyphenyl)ethyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48567496
N-[3-fluoro-4-(3-morpholin-4-ylpropoxy)phenyl]-4-methoxy-3-phenylmethoxybenzamide
CID 141436174
N-benzyl-3-thieno[2,3-d]pyrimidin-4-yloxybenzamide
CID 9112729
3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 42775270

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[5-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxybenzamide?
The IUPAC name of N-benzyl-3-[5-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxybenzamide (CID 118101377) is N-benzyl-3-[5-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxybenzamide.
What is the SMILES notation for N-benzyl-3-[5-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxybenzamide?
The canonical SMILES for N-benzyl-3-[5-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxybenzamide is COc1cc(OCCCN2CCOCC2)cc2ncnc(Oc3cccc(C(=O)NCc4ccccc4)c3)c12.
What is the InChIKey of N-benzyl-3-[5-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxybenzamide?
The InChIKey is JSWJXWTTYPJUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O5/c1-36-27-19-25(38-14-6-11-34-12-15-37-16-13-34)18-26-28(27)30(33-21-32-26)39-24-10-5-9-23(17-24)29(35)31-20-22-7-3-2-4-8-22/h2-5,7-10,17-19,21H,6,11-16,20H2,1H3,(H,31,35).
What are the key properties of N-benzyl-3-[5-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxybenzamide?
N-benzyl-3-[5-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxybenzamide has a molecular weight of 528.61 g/mol, XLogP of 4.46, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[5-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]oxybenzamide is sourced from PubChem (CID 118101377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).