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

C28H34N4O3 — CID 164610177

IUPAC4-[3-[4-(1-butylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
SMILESCCCCn1cc(-c2ncnc3cc(OC)c(OCCCN4CCOCC4)cc23)c2ccccc21
InChIInChI=1S/C28H34N4O3/c1-3-4-11-32-19-23(21-8-5-6-9-25(21)32)28-22-17-27(26(33-2)18-24(22)29-20-30-28)35-14-7-10-31-12-15-34-16-13-31/h5-6,8-9,17-20H,3-4,7,10-16H2,1-2H3
InChIKeyPGPAWDBIYGXWPV-UHFFFAOYSA-N
MW474.61 g/mol
LogP5.16
Rot. Bonds10

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

4-[3-[4-(1-butylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine (PubChem CID 164610177) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is 4-[3-[4-(1-butylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(1-butylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
PubChem CID164610177
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Name4-[3-[4-(1-butylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
SMILESCCCCn1cc(-c2ncnc3cc(OC)c(OCCCN4CCOCC4)cc23)c2ccccc21
InChIInChI=1S/C28H34N4O3/c1-3-4-11-32-19-23(21-8-5-6-9-25(21)32)28-22-17-27(26(33-2)18-24(22)29-20-30-28)35-14-7-10-31-12-15-34-16-13-31/h5-6,8-9,17-20H,3-4,7,10-16H2,1-2H3
InChIKeyPGPAWDBIYGXWPV-UHFFFAOYSA-N
XLogP5.16
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-butylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
The IUPAC name of 4-[3-[4-(1-butylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine (CID 164610177) is 4-[3-[4-(1-butylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine.
What is the SMILES notation for 4-[3-[4-(1-butylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
The canonical SMILES for 4-[3-[4-(1-butylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine is CCCCn1cc(-c2ncnc3cc(OC)c(OCCCN4CCOCC4)cc23)c2ccccc21.
What is the InChIKey of 4-[3-[4-(1-butylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
The InChIKey is PGPAWDBIYGXWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-3-4-11-32-19-23(21-8-5-6-9-25(21)32)28-22-17-27(26(33-2)18-24(22)29-20-30-28)35-14-7-10-31-12-15-34-16-13-31/h5-6,8-9,17-20H,3-4,7,10-16H2,1-2H3.
What are the key properties of 4-[3-[4-(1-butylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
4-[3-[4-(1-butylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine has a molecular weight of 474.61 g/mol, XLogP of 5.16, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(1-butylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine is sourced from PubChem (CID 164610177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).