2-[(dipropylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one

C23H33N3O — CID 135413587

IUPAC2-[(dipropylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one
SMILESCCCN(CCC)Cc1nc2c(c(=O)[nH]1)C(CC)(CC)Cc1ccccc1-2
InChIInChI=1S/C23H33N3O/c1-5-13-26(14-6-2)16-19-24-21-18-12-10-9-11-17(18)15-23(7-3,8-4)20(21)22(27)25-19/h9-12H,5-8,13-16H2,1-4H3,(H,24,25,27)
InChIKeyDNAJWEKWKGBMSY-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.67
Rot. Bonds8

About 2-[(dipropylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one

2-[(dipropylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one (PubChem CID 135413587) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 2-[(dipropylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one.

Molecular Properties

Compound Name2-[(dipropylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one
PubChem CID135413587
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name2-[(dipropylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one
SMILESCCCN(CCC)Cc1nc2c(c(=O)[nH]1)C(CC)(CC)Cc1ccccc1-2
InChIInChI=1S/C23H33N3O/c1-5-13-26(14-6-2)16-19-24-21-18-12-10-9-11-17(18)15-23(7-3,8-4)20(21)22(27)25-19/h9-12H,5-8,13-16H2,1-4H3,(H,24,25,27)
InChIKeyDNAJWEKWKGBMSY-UHFFFAOYSA-N
XLogP4.67
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(dipropylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(dipropylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The IUPAC name of 2-[(dipropylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one (CID 135413587) is 2-[(dipropylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one.
What is the SMILES notation for 2-[(dipropylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The canonical SMILES for 2-[(dipropylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one is CCCN(CCC)Cc1nc2c(c(=O)[nH]1)C(CC)(CC)Cc1ccccc1-2.
What is the InChIKey of 2-[(dipropylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The InChIKey is DNAJWEKWKGBMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-5-13-26(14-6-2)16-19-24-21-18-12-10-9-11-17(18)15-23(7-3,8-4)20(21)22(27)25-19/h9-12H,5-8,13-16H2,1-4H3,(H,24,25,27).
What are the key properties of 2-[(dipropylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one?
2-[(dipropylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one has a molecular weight of 367.54 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dipropylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one is sourced from PubChem (CID 135413587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).