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

C33H34N4O3 — CID 164613966

IUPAC4-[3-[7-methoxy-4-(2-phenyl-1-prop-2-enylindol-3-yl)quinazolin-6-yl]oxypropyl]morpholine
SMILESC=CCn1c(-c2ccccc2)c(-c2ncnc3cc(OC)c(OCCCN4CCOCC4)cc23)c2ccccc21
InChIInChI=1S/C33H34N4O3/c1-3-14-37-28-13-8-7-12-25(28)31(33(37)24-10-5-4-6-11-24)32-26-21-30(29(38-2)22-27(26)34-23-35-32)40-18-9-15-36-16-19-39-20-17-36/h3-8,10-13,21-23H,1,9,14-20H2,2H3
InChIKeyPJUCKUPYUNMZKX-UHFFFAOYSA-N
MW534.66 g/mol
LogP6.21
Rot. Bonds10

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

4-[3-[7-methoxy-4-(2-phenyl-1-prop-2-enylindol-3-yl)quinazolin-6-yl]oxypropyl]morpholine (PubChem CID 164613966) has the molecular formula C33H34N4O3 and a molecular weight of 534.66 g/mol. Its IUPAC name is 4-[3-[7-methoxy-4-(2-phenyl-1-prop-2-enylindol-3-yl)quinazolin-6-yl]oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-[7-methoxy-4-(2-phenyl-1-prop-2-enylindol-3-yl)quinazolin-6-yl]oxypropyl]morpholine
PubChem CID164613966
Molecular FormulaC33H34N4O3
Molecular Weight534.66 g/mol
Exact Mass534.26
IUPAC Name4-[3-[7-methoxy-4-(2-phenyl-1-prop-2-enylindol-3-yl)quinazolin-6-yl]oxypropyl]morpholine
SMILESC=CCn1c(-c2ccccc2)c(-c2ncnc3cc(OC)c(OCCCN4CCOCC4)cc23)c2ccccc21
InChIInChI=1S/C33H34N4O3/c1-3-14-37-28-13-8-7-12-25(28)31(33(37)24-10-5-4-6-11-24)32-26-21-30(29(38-2)22-27(26)34-23-35-32)40-18-9-15-36-16-19-39-20-17-36/h3-8,10-13,21-23H,1,9,14-20H2,2H3
InChIKeyPJUCKUPYUNMZKX-UHFFFAOYSA-N
XLogP6.21
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[7-methoxy-4-(2-phenyl-1-prop-2-enylindol-3-yl)quinazolin-6-yl]oxypropyl]morpholine?
The IUPAC name of 4-[3-[7-methoxy-4-(2-phenyl-1-prop-2-enylindol-3-yl)quinazolin-6-yl]oxypropyl]morpholine (CID 164613966) is 4-[3-[7-methoxy-4-(2-phenyl-1-prop-2-enylindol-3-yl)quinazolin-6-yl]oxypropyl]morpholine.
What is the SMILES notation for 4-[3-[7-methoxy-4-(2-phenyl-1-prop-2-enylindol-3-yl)quinazolin-6-yl]oxypropyl]morpholine?
The canonical SMILES for 4-[3-[7-methoxy-4-(2-phenyl-1-prop-2-enylindol-3-yl)quinazolin-6-yl]oxypropyl]morpholine is C=CCn1c(-c2ccccc2)c(-c2ncnc3cc(OC)c(OCCCN4CCOCC4)cc23)c2ccccc21.
What is the InChIKey of 4-[3-[7-methoxy-4-(2-phenyl-1-prop-2-enylindol-3-yl)quinazolin-6-yl]oxypropyl]morpholine?
The InChIKey is PJUCKUPYUNMZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O3/c1-3-14-37-28-13-8-7-12-25(28)31(33(37)24-10-5-4-6-11-24)32-26-21-30(29(38-2)22-27(26)34-23-35-32)40-18-9-15-36-16-19-39-20-17-36/h3-8,10-13,21-23H,1,9,14-20H2,2H3.
What are the key properties of 4-[3-[7-methoxy-4-(2-phenyl-1-prop-2-enylindol-3-yl)quinazolin-6-yl]oxypropyl]morpholine?
4-[3-[7-methoxy-4-(2-phenyl-1-prop-2-enylindol-3-yl)quinazolin-6-yl]oxypropyl]morpholine has a molecular weight of 534.66 g/mol, XLogP of 6.21, 10 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-prop-2-enylindol-3-yl)quinazolin-6-yl]oxypropyl]morpholine is sourced from PubChem (CID 164613966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).