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

C31H32N4O3 — CID 164621842

IUPAC4-[3-[4-(1-benzylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
SMILESCOc1cc2ncnc(-c3cn(Cc4ccccc4)c4ccccc34)c2cc1OCCCN1CCOCC1
InChIInChI=1S/C31H32N4O3/c1-36-29-19-27-25(18-30(29)38-15-7-12-34-13-16-37-17-14-34)31(33-22-32-27)26-21-35(20-23-8-3-2-4-9-23)28-11-6-5-10-24(26)28/h2-6,8-11,18-19,21-22H,7,12-17,20H2,1H3
InChIKeyOTZKOPFTURWONP-UHFFFAOYSA-N
MW508.62 g/mol
LogP5.41
Rot. Bonds9

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

4-[3-[4-(1-benzylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine (PubChem CID 164621842) has the molecular formula C31H32N4O3 and a molecular weight of 508.62 g/mol. Its IUPAC name is 4-[3-[4-(1-benzylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(1-benzylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
PubChem CID164621842
Molecular FormulaC31H32N4O3
Molecular Weight508.62 g/mol
Exact Mass508.25
IUPAC Name4-[3-[4-(1-benzylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
SMILESCOc1cc2ncnc(-c3cn(Cc4ccccc4)c4ccccc34)c2cc1OCCCN1CCOCC1
InChIInChI=1S/C31H32N4O3/c1-36-29-19-27-25(18-30(29)38-15-7-12-34-13-16-37-17-14-34)31(33-22-32-27)26-21-35(20-23-8-3-2-4-9-23)28-11-6-5-10-24(26)28/h2-6,8-11,18-19,21-22H,7,12-17,20H2,1H3
InChIKeyOTZKOPFTURWONP-UHFFFAOYSA-N
XLogP5.41
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[3-[4-(1-benzylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(1-benzylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
The IUPAC name of 4-[3-[4-(1-benzylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine (CID 164621842) is 4-[3-[4-(1-benzylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine.
What is the SMILES notation for 4-[3-[4-(1-benzylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
The canonical SMILES for 4-[3-[4-(1-benzylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine is COc1cc2ncnc(-c3cn(Cc4ccccc4)c4ccccc34)c2cc1OCCCN1CCOCC1.
What is the InChIKey of 4-[3-[4-(1-benzylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
The InChIKey is OTZKOPFTURWONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O3/c1-36-29-19-27-25(18-30(29)38-15-7-12-34-13-16-37-17-14-34)31(33-22-32-27)26-21-35(20-23-8-3-2-4-9-23)28-11-6-5-10-24(26)28/h2-6,8-11,18-19,21-22H,7,12-17,20H2,1H3.
What are the key properties of 4-[3-[4-(1-benzylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
4-[3-[4-(1-benzylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine has a molecular weight of 508.62 g/mol, XLogP of 5.41, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(1-benzylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine is sourced from PubChem (CID 164621842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).