4-[3-[7-methoxy-4-[2-phenyl-1-(3-phenylpropyl)indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine

C39H40N4O3 — CID 164610573

IUPAC4-[3-[7-methoxy-4-[2-phenyl-1-(3-phenylpropyl)indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine
SMILESCOc1cc2ncnc(-c3c(-c4ccccc4)n(CCCc4ccccc4)c4ccccc34)c2cc1OCCCN1CCOCC1
InChIInChI=1S/C39H40N4O3/c1-44-35-27-33-32(26-36(35)46-23-11-19-42-21-24-45-25-22-42)38(41-28-40-33)37-31-17-8-9-18-34(31)43(39(37)30-15-6-3-7-16-30)20-10-14-29-12-4-2-5-13-29/h2-9,12-13,15-18,26-28H,10-11,14,19-25H2,1H3
InChIKeyUSGWYTBKXBOLTJ-UHFFFAOYSA-N
MW612.77 g/mol
LogP7.66
Rot. Bonds12

About 4-[3-[7-methoxy-4-[2-phenyl-1-(3-phenylpropyl)indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine

4-[3-[7-methoxy-4-[2-phenyl-1-(3-phenylpropyl)indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine (PubChem CID 164610573) has the molecular formula C39H40N4O3 and a molecular weight of 612.77 g/mol. Its IUPAC name is 4-[3-[7-methoxy-4-[2-phenyl-1-(3-phenylpropyl)indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-[7-methoxy-4-[2-phenyl-1-(3-phenylpropyl)indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine
PubChem CID164610573
Molecular FormulaC39H40N4O3
Molecular Weight612.77 g/mol
Exact Mass612.31
IUPAC Name4-[3-[7-methoxy-4-[2-phenyl-1-(3-phenylpropyl)indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine
SMILESCOc1cc2ncnc(-c3c(-c4ccccc4)n(CCCc4ccccc4)c4ccccc34)c2cc1OCCCN1CCOCC1
InChIInChI=1S/C39H40N4O3/c1-44-35-27-33-32(26-36(35)46-23-11-19-42-21-24-45-25-22-42)38(41-28-40-33)37-31-17-8-9-18-34(31)43(39(37)30-15-6-3-7-16-30)20-10-14-29-12-4-2-5-13-29/h2-9,12-13,15-18,26-28H,10-11,14,19-25H2,1H3
InChIKeyUSGWYTBKXBOLTJ-UHFFFAOYSA-N
XLogP7.66
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.77
LogP ≤ 57.66
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-[7-methoxy-4-[2-phenyl-1-(3-phenylpropyl)indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine?
The IUPAC name of 4-[3-[7-methoxy-4-[2-phenyl-1-(3-phenylpropyl)indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine (CID 164610573) is 4-[3-[7-methoxy-4-[2-phenyl-1-(3-phenylpropyl)indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine.
What is the SMILES notation for 4-[3-[7-methoxy-4-[2-phenyl-1-(3-phenylpropyl)indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine?
The canonical SMILES for 4-[3-[7-methoxy-4-[2-phenyl-1-(3-phenylpropyl)indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine is COc1cc2ncnc(-c3c(-c4ccccc4)n(CCCc4ccccc4)c4ccccc34)c2cc1OCCCN1CCOCC1.
What is the InChIKey of 4-[3-[7-methoxy-4-[2-phenyl-1-(3-phenylpropyl)indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine?
The InChIKey is USGWYTBKXBOLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40N4O3/c1-44-35-27-33-32(26-36(35)46-23-11-19-42-21-24-45-25-22-42)38(41-28-40-33)37-31-17-8-9-18-34(31)43(39(37)30-15-6-3-7-16-30)20-10-14-29-12-4-2-5-13-29/h2-9,12-13,15-18,26-28H,10-11,14,19-25H2,1H3.
What are the key properties of 4-[3-[7-methoxy-4-[2-phenyl-1-(3-phenylpropyl)indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine?
4-[3-[7-methoxy-4-[2-phenyl-1-(3-phenylpropyl)indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine has a molecular weight of 612.77 g/mol, XLogP of 7.66, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[7-methoxy-4-[2-phenyl-1-(3-phenylpropyl)indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine is sourced from PubChem (CID 164610573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).