3,5-diethyl-2-(2-hydroxyethylamino)-5-methyl-6H-benzo[h]quinazolin-4-one

C19H25N3O2 — CID 4264276

IUPAC3,5-diethyl-2-(2-hydroxyethylamino)-5-methyl-6H-benzo[h]quinazolin-4-one
SMILESCCn1c(NCCO)nc2c(c1=O)C(C)(CC)Cc1ccccc1-2
InChIInChI=1S/C19H25N3O2/c1-4-19(3)12-13-8-6-7-9-14(13)16-15(19)17(24)22(5-2)18(21-16)20-10-11-23/h6-9,23H,4-5,10-12H2,1-3H3,(H,20,21)
InChIKeyYXAQHTAMNWEFBR-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.56
Rot. Bonds5

About 3,5-diethyl-2-(2-hydroxyethylamino)-5-methyl-6H-benzo[h]quinazolin-4-one

3,5-diethyl-2-(2-hydroxyethylamino)-5-methyl-6H-benzo[h]quinazolin-4-one (PubChem CID 4264276) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3,5-diethyl-2-(2-hydroxyethylamino)-5-methyl-6H-benzo[h]quinazolin-4-one.

Molecular Properties

Compound Name3,5-diethyl-2-(2-hydroxyethylamino)-5-methyl-6H-benzo[h]quinazolin-4-one
PubChem CID4264276
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3,5-diethyl-2-(2-hydroxyethylamino)-5-methyl-6H-benzo[h]quinazolin-4-one
SMILESCCn1c(NCCO)nc2c(c1=O)C(C)(CC)Cc1ccccc1-2
InChIInChI=1S/C19H25N3O2/c1-4-19(3)12-13-8-6-7-9-14(13)16-15(19)17(24)22(5-2)18(21-16)20-10-11-23/h6-9,23H,4-5,10-12H2,1-3H3,(H,20,21)
InChIKeyYXAQHTAMNWEFBR-UHFFFAOYSA-N
XLogP2.56
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,5-diethyl-2-(2-hydroxyethylamino)-5-methyl-6H-benzo[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

Related Compounds

2-[(Dimethylamino)methyl]-5,5-diethyl-5,6-dihydrobenzo[h]quinazolin-4-ol
CID 135400164
2-[(3-hydroxypropyl)amino]-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 135435204
5-Ethyl-2-[(3-hydroxypropyl)amino]-5-methyl-5,6-dihydrobenzo[h]quinazolin-4-ol
CID 135478636
2-[(2-hydroxyethyl)amino]-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
CID 1824787
2-[(2-hydroxyethyl)amino]-5,5-dimethyl-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 1893664
2-[(3-hydroxypropyl)amino]-5,5-dimethyl-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 1917592
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-[(2-hydroxyethyl)amino]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
CID 2862957
5-Ethyl-2-[(2-hydroxyethyl)amino]-5-methyl-5,6-dihydrobenzo[h]quinazolin-4-ol
CID 135437484
5-ethyl-2-((3-hydroxypropyl)amino)-3,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 3762102
3,5-diethyl-2-(3-hydroxypropylamino)-5-methyl-6H-benzo[h]quinazolin-4-one
CID 3803861
5,5-diethyl-2-[(3-hydroxypropyl)amino]-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 135455091
2-Diethylaminomethyl-5,5-diethyl-5,6-dihydro-3H-benzo[h]quinazolin-4-one
CID 135516039

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-2-(2-hydroxyethylamino)-5-methyl-6H-benzo[h]quinazolin-4-one?
The IUPAC name of 3,5-diethyl-2-(2-hydroxyethylamino)-5-methyl-6H-benzo[h]quinazolin-4-one (CID 4264276) is 3,5-diethyl-2-(2-hydroxyethylamino)-5-methyl-6H-benzo[h]quinazolin-4-one.
What is the SMILES notation for 3,5-diethyl-2-(2-hydroxyethylamino)-5-methyl-6H-benzo[h]quinazolin-4-one?
The canonical SMILES for 3,5-diethyl-2-(2-hydroxyethylamino)-5-methyl-6H-benzo[h]quinazolin-4-one is CCn1c(NCCO)nc2c(c1=O)C(C)(CC)Cc1ccccc1-2.
What is the InChIKey of 3,5-diethyl-2-(2-hydroxyethylamino)-5-methyl-6H-benzo[h]quinazolin-4-one?
The InChIKey is YXAQHTAMNWEFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-19(3)12-13-8-6-7-9-14(13)16-15(19)17(24)22(5-2)18(21-16)20-10-11-23/h6-9,23H,4-5,10-12H2,1-3H3,(H,20,21).
What are the key properties of 3,5-diethyl-2-(2-hydroxyethylamino)-5-methyl-6H-benzo[h]quinazolin-4-one?
3,5-diethyl-2-(2-hydroxyethylamino)-5-methyl-6H-benzo[h]quinazolin-4-one has a molecular weight of 327.43 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-2-(2-hydroxyethylamino)-5-methyl-6H-benzo[h]quinazolin-4-one is sourced from PubChem (CID 4264276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).