4-[3-[4-(5-chloro-6-fluoro-1H-indol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine

C24H24ClFN4O3 — CID 11619763

IUPAC4-[3-[4-(5-chloro-6-fluoro-1H-indol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
SMILESCOc1cc2ncnc(-c3c[nH]c4cc(F)c(Cl)cc34)c2cc1OCCCN1CCOCC1
InChIInChI=1S/C24H24ClFN4O3/c1-31-22-12-21-16(10-23(22)33-6-2-3-30-4-7-32-8-5-30)24(29-14-28-21)17-13-27-20-11-19(26)18(25)9-15(17)20/h9-14,27H,2-8H2,1H3
InChIKeyHXKNWYUOIAOBMC-UHFFFAOYSA-N
MW470.93 g/mol
LogP4.68
Rot. Bonds7

About 4-[3-[4-(5-chloro-6-fluoro-1H-indol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine

4-[3-[4-(5-chloro-6-fluoro-1H-indol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine (PubChem CID 11619763) has the molecular formula C24H24ClFN4O3 and a molecular weight of 470.93 g/mol. Its IUPAC name is 4-[3-[4-(5-chloro-6-fluoro-1H-indol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(5-chloro-6-fluoro-1H-indol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
PubChem CID11619763
Molecular FormulaC24H24ClFN4O3
Molecular Weight470.93 g/mol
Exact Mass470.15
IUPAC Name4-[3-[4-(5-chloro-6-fluoro-1H-indol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
SMILESCOc1cc2ncnc(-c3c[nH]c4cc(F)c(Cl)cc34)c2cc1OCCCN1CCOCC1
InChIInChI=1S/C24H24ClFN4O3/c1-31-22-12-21-16(10-23(22)33-6-2-3-30-4-7-32-8-5-30)24(29-14-28-21)17-13-27-20-11-19(26)18(25)9-15(17)20/h9-14,27H,2-8H2,1H3
InChIKeyHXKNWYUOIAOBMC-UHFFFAOYSA-N
XLogP4.68
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.93
LogP ≤ 54.68
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-(5-chloro-6-fluoro-1H-indol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
The IUPAC name of 4-[3-[4-(5-chloro-6-fluoro-1H-indol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine (CID 11619763) is 4-[3-[4-(5-chloro-6-fluoro-1H-indol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine.
What is the SMILES notation for 4-[3-[4-(5-chloro-6-fluoro-1H-indol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
The canonical SMILES for 4-[3-[4-(5-chloro-6-fluoro-1H-indol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine is COc1cc2ncnc(-c3c[nH]c4cc(F)c(Cl)cc34)c2cc1OCCCN1CCOCC1.
What is the InChIKey of 4-[3-[4-(5-chloro-6-fluoro-1H-indol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
The InChIKey is HXKNWYUOIAOBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O3/c1-31-22-12-21-16(10-23(22)33-6-2-3-30-4-7-32-8-5-30)24(29-14-28-21)17-13-27-20-11-19(26)18(25)9-15(17)20/h9-14,27H,2-8H2,1H3.
What are the key properties of 4-[3-[4-(5-chloro-6-fluoro-1H-indol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
4-[3-[4-(5-chloro-6-fluoro-1H-indol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine has a molecular weight of 470.93 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(5-chloro-6-fluoro-1H-indol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine is sourced from PubChem (CID 11619763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).