4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine

C32H34N4O4 — CID 164616525

IUPAC4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
SMILESCOc1ccc2c(-c3ncnc4cc(OC)c(OCCCN5CCOCC5)cc34)cn(Cc3ccccc3)c2c1
InChIInChI=1S/C32H34N4O4/c1-37-24-9-10-25-27(21-36(29(25)17-24)20-23-7-4-3-5-8-23)32-26-18-31(30(38-2)19-28(26)33-22-34-32)40-14-6-11-35-12-15-39-16-13-35/h3-5,7-10,17-19,21-22H,6,11-16,20H2,1-2H3
InChIKeyZJDDIKZIONKSNB-UHFFFAOYSA-N
MW538.65 g/mol
LogP5.42
Rot. Bonds10

About 4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine

4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine (PubChem CID 164616525) has the molecular formula C32H34N4O4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
PubChem CID164616525
Molecular FormulaC32H34N4O4
Molecular Weight538.65 g/mol
Exact Mass538.26
IUPAC Name4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
SMILESCOc1ccc2c(-c3ncnc4cc(OC)c(OCCCN5CCOCC5)cc34)cn(Cc3ccccc3)c2c1
InChIInChI=1S/C32H34N4O4/c1-37-24-9-10-25-27(21-36(29(25)17-24)20-23-7-4-3-5-8-23)32-26-18-31(30(38-2)19-28(26)33-22-34-32)40-14-6-11-35-12-15-39-16-13-35/h3-5,7-10,17-19,21-22H,6,11-16,20H2,1-2H3
InChIKeyZJDDIKZIONKSNB-UHFFFAOYSA-N
XLogP5.42
TPSA70.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
The IUPAC name of 4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine (CID 164616525) is 4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine.
What is the SMILES notation for 4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
The canonical SMILES for 4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine is COc1ccc2c(-c3ncnc4cc(OC)c(OCCCN5CCOCC5)cc34)cn(Cc3ccccc3)c2c1.
What is the InChIKey of 4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
The InChIKey is ZJDDIKZIONKSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O4/c1-37-24-9-10-25-27(21-36(29(25)17-24)20-23-7-4-3-5-8-23)32-26-18-31(30(38-2)19-28(26)33-22-34-32)40-14-6-11-35-12-15-39-16-13-35/h3-5,7-10,17-19,21-22H,6,11-16,20H2,1-2H3.
What are the key properties of 4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine has a molecular weight of 538.65 g/mol, XLogP of 5.42, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine is sourced from PubChem (CID 164616525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).