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

C32H34N4O3 — CID 164615004

IUPAC4-[3-[7-methoxy-4-[2-(2-phenylethyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine
SMILESCOc1cc2ncnc(-c3c(CCc4ccccc4)[nH]c4ccccc34)c2cc1OCCCN1CCOCC1
InChIInChI=1S/C32H34N4O3/c1-37-29-21-28-25(20-30(29)39-17-7-14-36-15-18-38-19-16-36)32(34-22-33-28)31-24-10-5-6-11-26(24)35-27(31)13-12-23-8-3-2-4-9-23/h2-6,8-11,20-22,35H,7,12-19H2,1H3
InChIKeyGZGRODRRMCIUJQ-UHFFFAOYSA-N
MW522.65 g/mol
LogP5.67
Rot. Bonds10

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

4-[3-[7-methoxy-4-[2-(2-phenylethyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine (PubChem CID 164615004) has the molecular formula C32H34N4O3 and a molecular weight of 522.65 g/mol. Its IUPAC name is 4-[3-[7-methoxy-4-[2-(2-phenylethyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-[7-methoxy-4-[2-(2-phenylethyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine
PubChem CID164615004
Molecular FormulaC32H34N4O3
Molecular Weight522.65 g/mol
Exact Mass522.26
IUPAC Name4-[3-[7-methoxy-4-[2-(2-phenylethyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine
SMILESCOc1cc2ncnc(-c3c(CCc4ccccc4)[nH]c4ccccc34)c2cc1OCCCN1CCOCC1
InChIInChI=1S/C32H34N4O3/c1-37-29-21-28-25(20-30(29)39-17-7-14-36-15-18-38-19-16-36)32(34-22-33-28)31-24-10-5-6-11-26(24)35-27(31)13-12-23-8-3-2-4-9-23/h2-6,8-11,20-22,35H,7,12-19H2,1H3
InChIKeyGZGRODRRMCIUJQ-UHFFFAOYSA-N
XLogP5.67
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 55.67
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-[7-methoxy-4-[2-(2-phenylethyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine?
The IUPAC name of 4-[3-[7-methoxy-4-[2-(2-phenylethyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine (CID 164615004) is 4-[3-[7-methoxy-4-[2-(2-phenylethyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine.
What is the SMILES notation for 4-[3-[7-methoxy-4-[2-(2-phenylethyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine?
The canonical SMILES for 4-[3-[7-methoxy-4-[2-(2-phenylethyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine is COc1cc2ncnc(-c3c(CCc4ccccc4)[nH]c4ccccc34)c2cc1OCCCN1CCOCC1.
What is the InChIKey of 4-[3-[7-methoxy-4-[2-(2-phenylethyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine?
The InChIKey is GZGRODRRMCIUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O3/c1-37-29-21-28-25(20-30(29)39-17-7-14-36-15-18-38-19-16-36)32(34-22-33-28)31-24-10-5-6-11-26(24)35-27(31)13-12-23-8-3-2-4-9-23/h2-6,8-11,20-22,35H,7,12-19H2,1H3.
What are the key properties of 4-[3-[7-methoxy-4-[2-(2-phenylethyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine?
4-[3-[7-methoxy-4-[2-(2-phenylethyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine has a molecular weight of 522.65 g/mol, XLogP of 5.67, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[7-methoxy-4-[2-(2-phenylethyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine is sourced from PubChem (CID 164615004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).