3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

C24H29N3O2 — CID 44561464

IUPAC3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESCCN(CC)CCOc1ccc(CC2CCn3c2nc2ccccc2c3=O)cc1
InChIInChI=1S/C24H29N3O2/c1-3-26(4-2)15-16-29-20-11-9-18(10-12-20)17-19-13-14-27-23(19)25-22-8-6-5-7-21(22)24(27)28/h5-12,19H,3-4,13-17H2,1-2H3
InChIKeyBOPZUSPNSRLAPK-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.85
Rot. Bonds8

About 3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (PubChem CID 44561464) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one.

Molecular Properties

Compound Name3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
PubChem CID44561464
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESCCN(CC)CCOc1ccc(CC2CCn3c2nc2ccccc2c3=O)cc1
InChIInChI=1S/C24H29N3O2/c1-3-26(4-2)15-16-29-20-11-9-18(10-12-20)17-19-13-14-27-23(19)25-22-8-6-5-7-21(22)24(27)28/h5-12,19H,3-4,13-17H2,1-2H3
InChIKeyBOPZUSPNSRLAPK-UHFFFAOYSA-N
XLogP3.85
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The IUPAC name of 3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (CID 44561464) is 3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one.
What is the SMILES notation for 3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The canonical SMILES for 3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one is CCN(CC)CCOc1ccc(CC2CCn3c2nc2ccccc2c3=O)cc1.
What is the InChIKey of 3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The InChIKey is BOPZUSPNSRLAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-3-26(4-2)15-16-29-20-11-9-18(10-12-20)17-19-13-14-27-23(19)25-22-8-6-5-7-21(22)24(27)28/h5-12,19H,3-4,13-17H2,1-2H3.
What are the key properties of 3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one has a molecular weight of 391.52 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one is sourced from PubChem (CID 44561464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).