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

C30H29ClN4O3 — CID 164626435

IUPAC4-[3-[4-[2-(3-chlorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
SMILESCOc1cc2ncnc(-c3c(-c4cccc(Cl)c4)[nH]c4ccccc34)c2cc1OCCCN1CCOCC1
InChIInChI=1S/C30H29ClN4O3/c1-36-26-18-25-23(17-27(26)38-13-5-10-35-11-14-37-15-12-35)30(33-19-32-25)28-22-8-2-3-9-24(22)34-29(28)20-6-4-7-21(31)16-20/h2-4,6-9,16-19,34H,5,10-15H2,1H3
InChIKeyJEDFOWRARNKTCB-UHFFFAOYSA-N
MW529.04 g/mol
LogP6.21
Rot. Bonds8

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

4-[3-[4-[2-(3-chlorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine (PubChem CID 164626435) has the molecular formula C30H29ClN4O3 and a molecular weight of 529.04 g/mol. Its IUPAC name is 4-[3-[4-[2-(3-chlorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-[2-(3-chlorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
PubChem CID164626435
Molecular FormulaC30H29ClN4O3
Molecular Weight529.04 g/mol
Exact Mass528.19
IUPAC Name4-[3-[4-[2-(3-chlorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
SMILESCOc1cc2ncnc(-c3c(-c4cccc(Cl)c4)[nH]c4ccccc34)c2cc1OCCCN1CCOCC1
InChIInChI=1S/C30H29ClN4O3/c1-36-26-18-25-23(17-27(26)38-13-5-10-35-11-14-37-15-12-35)30(33-19-32-25)28-22-8-2-3-9-24(22)34-29(28)20-6-4-7-21(31)16-20/h2-4,6-9,16-19,34H,5,10-15H2,1H3
InChIKeyJEDFOWRARNKTCB-UHFFFAOYSA-N
XLogP6.21
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.04
LogP ≤ 56.21
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-(3-chlorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
The IUPAC name of 4-[3-[4-[2-(3-chlorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine (CID 164626435) is 4-[3-[4-[2-(3-chlorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine.
What is the SMILES notation for 4-[3-[4-[2-(3-chlorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
The canonical SMILES for 4-[3-[4-[2-(3-chlorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine is COc1cc2ncnc(-c3c(-c4cccc(Cl)c4)[nH]c4ccccc34)c2cc1OCCCN1CCOCC1.
What is the InChIKey of 4-[3-[4-[2-(3-chlorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
The InChIKey is JEDFOWRARNKTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClN4O3/c1-36-26-18-25-23(17-27(26)38-13-5-10-35-11-14-37-15-12-35)30(33-19-32-25)28-22-8-2-3-9-24(22)34-29(28)20-6-4-7-21(31)16-20/h2-4,6-9,16-19,34H,5,10-15H2,1H3.
What are the key properties of 4-[3-[4-[2-(3-chlorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?
4-[3-[4-[2-(3-chlorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine has a molecular weight of 529.04 g/mol, XLogP of 6.21, 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-(3-chlorophenyl)-1H-indol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine is sourced from PubChem (CID 164626435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).