8-[3-(diethylamino)propoxy]-12H-isoindolo[1,2-b]quinazolin-10-one

C22H25N3O2 — CID 118710490

IUPAC8-[3-(diethylamino)propoxy]-12H-isoindolo[1,2-b]quinazolin-10-one
SMILESCCN(CC)CCCOc1ccc2nc3n(c(=O)c2c1)Cc1ccccc1-3
InChIInChI=1S/C22H25N3O2/c1-3-24(4-2)12-7-13-27-17-10-11-20-19(14-17)22(26)25-15-16-8-5-6-9-18(16)21(25)23-20/h5-6,8-11,14H,3-4,7,12-13,15H2,1-2H3
InChIKeyMIPWRXSZLNVAKQ-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.54
Rot. Bonds7

About 8-[3-(diethylamino)propoxy]-12H-isoindolo[1,2-b]quinazolin-10-one

8-[3-(diethylamino)propoxy]-12H-isoindolo[1,2-b]quinazolin-10-one (PubChem CID 118710490) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 8-[3-(diethylamino)propoxy]-12H-isoindolo[1,2-b]quinazolin-10-one.

Molecular Properties

Compound Name8-[3-(diethylamino)propoxy]-12H-isoindolo[1,2-b]quinazolin-10-one
PubChem CID118710490
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name8-[3-(diethylamino)propoxy]-12H-isoindolo[1,2-b]quinazolin-10-one
SMILESCCN(CC)CCCOc1ccc2nc3n(c(=O)c2c1)Cc1ccccc1-3
InChIInChI=1S/C22H25N3O2/c1-3-24(4-2)12-7-13-27-17-10-11-20-19(14-17)22(26)25-15-16-8-5-6-9-18(16)21(25)23-20/h5-6,8-11,14H,3-4,7,12-13,15H2,1-2H3
InChIKeyMIPWRXSZLNVAKQ-UHFFFAOYSA-N
XLogP3.54
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 8-[3-(diethylamino)propoxy]-12H-isoindolo[1,2-b]quinazolin-10-one?
The IUPAC name of 8-[3-(diethylamino)propoxy]-12H-isoindolo[1,2-b]quinazolin-10-one (CID 118710490) is 8-[3-(diethylamino)propoxy]-12H-isoindolo[1,2-b]quinazolin-10-one.
What is the SMILES notation for 8-[3-(diethylamino)propoxy]-12H-isoindolo[1,2-b]quinazolin-10-one?
The canonical SMILES for 8-[3-(diethylamino)propoxy]-12H-isoindolo[1,2-b]quinazolin-10-one is CCN(CC)CCCOc1ccc2nc3n(c(=O)c2c1)Cc1ccccc1-3.
What is the InChIKey of 8-[3-(diethylamino)propoxy]-12H-isoindolo[1,2-b]quinazolin-10-one?
The InChIKey is MIPWRXSZLNVAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-3-24(4-2)12-7-13-27-17-10-11-20-19(14-17)22(26)25-15-16-8-5-6-9-18(16)21(25)23-20/h5-6,8-11,14H,3-4,7,12-13,15H2,1-2H3.
What are the key properties of 8-[3-(diethylamino)propoxy]-12H-isoindolo[1,2-b]quinazolin-10-one?
8-[3-(diethylamino)propoxy]-12H-isoindolo[1,2-b]quinazolin-10-one has a molecular weight of 363.46 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(diethylamino)propoxy]-12H-isoindolo[1,2-b]quinazolin-10-one is sourced from PubChem (CID 118710490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).