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

C19H25N3O2 — CID 135455091

IUPAC5,5-diethyl-2-(3-hydroxypropylamino)-3,6-dihydrobenzo[h]quinazolin-4-one
SMILESCCC1(CC)Cc2ccccc2-c2nc(NCCCO)[nH]c(=O)c21
InChIInChI=1S/C19H25N3O2/c1-3-19(4-2)12-13-8-5-6-9-14(13)16-15(19)17(24)22-18(21-16)20-10-7-11-23/h5-6,8-9,23H,3-4,7,10-12H2,1-2H3,(H2,20,21,22,24)
InChIKeyBUZHKGXZGKMOHM-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.85
Rot. Bonds6

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

5,5-diethyl-2-(3-hydroxypropylamino)-3,6-dihydrobenzo[h]quinazolin-4-one (PubChem CID 135455091) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 5,5-diethyl-2-(3-hydroxypropylamino)-3,6-dihydrobenzo[h]quinazolin-4-one.

Molecular Properties

Compound Name5,5-diethyl-2-(3-hydroxypropylamino)-3,6-dihydrobenzo[h]quinazolin-4-one
PubChem CID135455091
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name5,5-diethyl-2-(3-hydroxypropylamino)-3,6-dihydrobenzo[h]quinazolin-4-one
SMILESCCC1(CC)Cc2ccccc2-c2nc(NCCCO)[nH]c(=O)c21
InChIInChI=1S/C19H25N3O2/c1-3-19(4-2)12-13-8-5-6-9-14(13)16-15(19)17(24)22-18(21-16)20-10-7-11-23/h5-6,8-9,23H,3-4,7,10-12H2,1-2H3,(H2,20,21,22,24)
InChIKeyBUZHKGXZGKMOHM-UHFFFAOYSA-N
XLogP2.85
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5,5-diethyl-2-(3-hydroxypropylamino)-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 5,5-diethyl-2-(3-hydroxypropylamino)-3,6-dihydrobenzo[h]quinazolin-4-one?
The IUPAC name of 5,5-diethyl-2-(3-hydroxypropylamino)-3,6-dihydrobenzo[h]quinazolin-4-one (CID 135455091) is 5,5-diethyl-2-(3-hydroxypropylamino)-3,6-dihydrobenzo[h]quinazolin-4-one.
What is the SMILES notation for 5,5-diethyl-2-(3-hydroxypropylamino)-3,6-dihydrobenzo[h]quinazolin-4-one?
The canonical SMILES for 5,5-diethyl-2-(3-hydroxypropylamino)-3,6-dihydrobenzo[h]quinazolin-4-one is CCC1(CC)Cc2ccccc2-c2nc(NCCCO)[nH]c(=O)c21.
What is the InChIKey of 5,5-diethyl-2-(3-hydroxypropylamino)-3,6-dihydrobenzo[h]quinazolin-4-one?
The InChIKey is BUZHKGXZGKMOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-19(4-2)12-13-8-5-6-9-14(13)16-15(19)17(24)22-18(21-16)20-10-7-11-23/h5-6,8-9,23H,3-4,7,10-12H2,1-2H3,(H2,20,21,22,24).
What are the key properties of 5,5-diethyl-2-(3-hydroxypropylamino)-3,6-dihydrobenzo[h]quinazolin-4-one?
5,5-diethyl-2-(3-hydroxypropylamino)-3,6-dihydrobenzo[h]quinazolin-4-one has a molecular weight of 327.43 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-(3-hydroxypropylamino)-3,6-dihydrobenzo[h]quinazolin-4-one is sourced from PubChem (CID 135455091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).