4-[3-[4-(1-ethyl-2-phenylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine

C32H34N4O3 — CID 164628028

IUPAC4-[3-[4-(1-ethyl-2-phenylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
SMILESCCn1c(-c2ccccc2)c(-c2ncnc3cc(OC)c(OCCCN4CCOCC4)cc23)c2ccccc21
InChIInChI=1S/C32H34N4O3/c1-3-36-27-13-8-7-12-24(27)30(32(36)23-10-5-4-6-11-23)31-25-20-29(28(37-2)21-26(25)33-22-34-31)39-17-9-14-35-15-18-38-19-16-35/h4-8,10-13,20-22H,3,9,14-19H2,1-2H3
InChIKeyLZGZDXBHZFWXID-UHFFFAOYSA-N
MW522.65 g/mol
LogP6.05
Rot. Bonds9

About 4-[3-[4-(1-ethyl-2-phenylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine

4-[3-[4-(1-ethyl-2-phenylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine (PubChem CID 164628028) has the molecular formula C32H34N4O3 and a molecular weight of 522.65 g/mol. Its IUPAC name is 4-[3-[4-(1-ethyl-2-phenylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(1-ethyl-2-phenylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
PubChem CID164628028
Molecular FormulaC32H34N4O3
Molecular Weight522.65 g/mol
Exact Mass522.26
IUPAC Name4-[3-[4-(1-ethyl-2-phenylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
SMILESCCn1c(-c2ccccc2)c(-c2ncnc3cc(OC)c(OCCCN4CCOCC4)cc23)c2ccccc21
InChIInChI=1S/C32H34N4O3/c1-3-36-27-13-8-7-12-24(27)30(32(36)23-10-5-4-6-11-23)31-25-20-29(28(37-2)21-26(25)33-22-34-31)39-17-9-14-35-15-18-38-19-16-35/h4-8,10-13,20-22H,3,9,14-19H2,1-2H3
InChIKeyLZGZDXBHZFWXID-UHFFFAOYSA-N
XLogP6.05
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 56.05
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-ethyl-2-phenylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
The IUPAC name of 4-[3-[4-(1-ethyl-2-phenylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine (CID 164628028) is 4-[3-[4-(1-ethyl-2-phenylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine.
What is the SMILES notation for 4-[3-[4-(1-ethyl-2-phenylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
The canonical SMILES for 4-[3-[4-(1-ethyl-2-phenylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine is CCn1c(-c2ccccc2)c(-c2ncnc3cc(OC)c(OCCCN4CCOCC4)cc23)c2ccccc21.
What is the InChIKey of 4-[3-[4-(1-ethyl-2-phenylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
The InChIKey is LZGZDXBHZFWXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O3/c1-3-36-27-13-8-7-12-24(27)30(32(36)23-10-5-4-6-11-23)31-25-20-29(28(37-2)21-26(25)33-22-34-31)39-17-9-14-35-15-18-38-19-16-35/h4-8,10-13,20-22H,3,9,14-19H2,1-2H3.
What are the key properties of 4-[3-[4-(1-ethyl-2-phenylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
4-[3-[4-(1-ethyl-2-phenylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine has a molecular weight of 522.65 g/mol, XLogP of 6.05, 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-ethyl-2-phenylindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine is sourced from PubChem (CID 164628028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).