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

C19H25N3O — CID 135400164

IUPAC2-[(dimethylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one
SMILESCCC1(CC)Cc2ccccc2-c2nc(CN(C)C)[nH]c(=O)c21
InChIInChI=1S/C19H25N3O/c1-5-19(6-2)11-13-9-7-8-10-14(13)17-16(19)18(23)21-15(20-17)12-22(3)4/h7-10H,5-6,11-12H2,1-4H3,(H,20,21,23)
InChIKeyUWCUCWVAFYOMSL-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.11
Rot. Bonds4

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

2-[(dimethylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one (PubChem CID 135400164) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one
PubChem CID135400164
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-[(dimethylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one
SMILESCCC1(CC)Cc2ccccc2-c2nc(CN(C)C)[nH]c(=O)c21
InChIInChI=1S/C19H25N3O/c1-5-19(6-2)11-13-9-7-8-10-14(13)17-16(19)18(23)21-15(20-17)12-22(3)4/h7-10H,5-6,11-12H2,1-4H3,(H,20,21,23)
InChIKeyUWCUCWVAFYOMSL-UHFFFAOYSA-N
XLogP3.11
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloromethyl-5,5-diethyl-5,6-dihydro-3H-benzo[h]quinazolin-4-one
CID 135516038
10,11,12,13-tetrahydro-5H-spiro[azepino[2,1-b]benzo[h]quinazoline-6,1'-cyclopentan]-7(9H)-one
CID 656342
2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135960846
2-((4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide
CID 661841
6-ethyl-6-methyl-5,6,10,11,12,13-hexahydroazepino[2,1-b]benzo[h]quinazolin-7(9H)-one
CID 663575
1-benzyl-2,6-dimethyl-5-phenyl-4(1H)-pyrimidinone
CID 781510
2-(Diethylaminomethyl)-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one
CID 135450618
6-Methyl-2-[(4-phenylpiperidino)methyl]-4-pyrimidinol
CID 135472864
2-Methyl-6-[(4-phenylpiperidino)methyl]-4-pyrimidinol
CID 135472878
6-methyl-2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)propyl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CID 135960847
2,5,5-Triethyl-5,6-dihydro-3H-benzo[h]quinazolin-4-one
CID 135516037
3,5-diethyl-2-(3-hydroxypropylamino)-5-methyl-6H-benzo[h]quinazolin-4-one
CID 3803861

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The IUPAC name of 2-[(dimethylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one (CID 135400164) is 2-[(dimethylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The canonical SMILES for 2-[(dimethylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one is CCC1(CC)Cc2ccccc2-c2nc(CN(C)C)[nH]c(=O)c21.
What is the InChIKey of 2-[(dimethylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The InChIKey is UWCUCWVAFYOMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-5-19(6-2)11-13-9-7-8-10-14(13)17-16(19)18(23)21-15(20-17)12-22(3)4/h7-10H,5-6,11-12H2,1-4H3,(H,20,21,23).
What are the key properties of 2-[(dimethylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one?
2-[(dimethylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one has a molecular weight of 311.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one is sourced from PubChem (CID 135400164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).