4-[3-[4-[2-(2-fluorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine

C30H29FN4O3 — CID 164623085

IUPAC4-[3-[4-[2-(2-fluorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
SMILESCOc1cc2ncnc(-c3c(-c4ccccc4F)[nH]c4ccccc34)c2cc1OCCCN1CCOCC1
InChIInChI=1S/C30H29FN4O3/c1-36-26-18-25-22(17-27(26)38-14-6-11-35-12-15-37-16-13-35)29(33-19-32-25)28-21-8-3-5-10-24(21)34-30(28)20-7-2-4-9-23(20)31/h2-5,7-10,17-19,34H,6,11-16H2,1H3
InChIKeyOUIZFXQYHQIZTP-UHFFFAOYSA-N
MW512.59 g/mol
LogP5.69
Rot. Bonds8

About 4-[3-[4-[2-(2-fluorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine

4-[3-[4-[2-(2-fluorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine (PubChem CID 164623085) has the molecular formula C30H29FN4O3 and a molecular weight of 512.59 g/mol. Its IUPAC name is 4-[3-[4-[2-(2-fluorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-[2-(2-fluorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
PubChem CID164623085
Molecular FormulaC30H29FN4O3
Molecular Weight512.59 g/mol
Exact Mass512.22
IUPAC Name4-[3-[4-[2-(2-fluorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
SMILESCOc1cc2ncnc(-c3c(-c4ccccc4F)[nH]c4ccccc34)c2cc1OCCCN1CCOCC1
InChIInChI=1S/C30H29FN4O3/c1-36-26-18-25-22(17-27(26)38-14-6-11-35-12-15-37-16-13-35)29(33-19-32-25)28-21-8-3-5-10-24(21)34-30(28)20-7-2-4-9-23(20)31/h2-5,7-10,17-19,34H,6,11-16H2,1H3
InChIKeyOUIZFXQYHQIZTP-UHFFFAOYSA-N
XLogP5.69
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.59
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[2-(2-fluorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
The IUPAC name of 4-[3-[4-[2-(2-fluorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine (CID 164623085) is 4-[3-[4-[2-(2-fluorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine.
What is the SMILES notation for 4-[3-[4-[2-(2-fluorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
The canonical SMILES for 4-[3-[4-[2-(2-fluorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine is COc1cc2ncnc(-c3c(-c4ccccc4F)[nH]c4ccccc34)c2cc1OCCCN1CCOCC1.
What is the InChIKey of 4-[3-[4-[2-(2-fluorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
The InChIKey is OUIZFXQYHQIZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN4O3/c1-36-26-18-25-22(17-27(26)38-14-6-11-35-12-15-37-16-13-35)29(33-19-32-25)28-21-8-3-5-10-24(21)34-30(28)20-7-2-4-9-23(20)31/h2-5,7-10,17-19,34H,6,11-16H2,1H3.
What are the key properties of 4-[3-[4-[2-(2-fluorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
4-[3-[4-[2-(2-fluorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine has a molecular weight of 512.59 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[2-(2-fluorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine is sourced from PubChem (CID 164623085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).