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

C32H34N4O4 — CID 164608917

IUPAC4-[3-[4-(1-benzyl-4-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
SMILESCOc1cc2ncnc(-c3cn(Cc4ccccc4)c4cccc(OC)c34)c2cc1OCCCN1CCOCC1
InChIInChI=1S/C32H34N4O4/c1-37-28-11-6-10-27-31(28)25(21-36(27)20-23-8-4-3-5-9-23)32-24-18-30(29(38-2)19-26(24)33-22-34-32)40-15-7-12-35-13-16-39-17-14-35/h3-6,8-11,18-19,21-22H,7,12-17,20H2,1-2H3
InChIKeyPLSCNIMVROADGD-UHFFFAOYSA-N
MW538.65 g/mol
LogP5.42
Rot. Bonds10

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

4-[3-[4-(1-benzyl-4-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine (PubChem CID 164608917) has the molecular formula C32H34N4O4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 4-[3-[4-(1-benzyl-4-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(1-benzyl-4-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
PubChem CID164608917
Molecular FormulaC32H34N4O4
Molecular Weight538.65 g/mol
Exact Mass538.26
IUPAC Name4-[3-[4-(1-benzyl-4-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
SMILESCOc1cc2ncnc(-c3cn(Cc4ccccc4)c4cccc(OC)c34)c2cc1OCCCN1CCOCC1
InChIInChI=1S/C32H34N4O4/c1-37-28-11-6-10-27-31(28)25(21-36(27)20-23-8-4-3-5-9-23)32-24-18-30(29(38-2)19-26(24)33-22-34-32)40-15-7-12-35-13-16-39-17-14-35/h3-6,8-11,18-19,21-22H,7,12-17,20H2,1-2H3
InChIKeyPLSCNIMVROADGD-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-4-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
The IUPAC name of 4-[3-[4-(1-benzyl-4-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine (CID 164608917) is 4-[3-[4-(1-benzyl-4-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine.
What is the SMILES notation for 4-[3-[4-(1-benzyl-4-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
The canonical SMILES for 4-[3-[4-(1-benzyl-4-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine is COc1cc2ncnc(-c3cn(Cc4ccccc4)c4cccc(OC)c34)c2cc1OCCCN1CCOCC1.
What is the InChIKey of 4-[3-[4-(1-benzyl-4-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
The InChIKey is PLSCNIMVROADGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O4/c1-37-28-11-6-10-27-31(28)25(21-36(27)20-23-8-4-3-5-9-23)32-24-18-30(29(38-2)19-26(24)33-22-34-32)40-15-7-12-35-13-16-39-17-14-35/h3-6,8-11,18-19,21-22H,7,12-17,20H2,1-2H3.
What are the key properties of 4-[3-[4-(1-benzyl-4-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
4-[3-[4-(1-benzyl-4-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-4-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine is sourced from PubChem (CID 164608917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).