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

C21H29N3O — CID 135516039

IUPAC2-(diethylaminomethyl)-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one
SMILESCCN(CC)Cc1nc2c(c(=O)[nH]1)C(CC)(CC)Cc1ccccc1-2
InChIInChI=1S/C21H29N3O/c1-5-21(6-2)13-15-11-9-10-12-16(15)19-18(21)20(25)23-17(22-19)14-24(7-3)8-4/h9-12H,5-8,13-14H2,1-4H3,(H,22,23,25)
InChIKeyNSGYIRUDWOZKRF-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.89
Rot. Bonds6

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

2-(diethylaminomethyl)-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one (PubChem CID 135516039) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one.

Molecular Properties

Compound Name2-(diethylaminomethyl)-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one
PubChem CID135516039
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name2-(diethylaminomethyl)-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one
SMILESCCN(CC)Cc1nc2c(c(=O)[nH]1)C(CC)(CC)Cc1ccccc1-2
InChIInChI=1S/C21H29N3O/c1-5-21(6-2)13-15-11-9-10-12-16(15)19-18(21)20(25)23-17(22-19)14-24(7-3)8-4/h9-12H,5-8,13-14H2,1-4H3,(H,22,23,25)
InChIKeyNSGYIRUDWOZKRF-UHFFFAOYSA-N
XLogP3.89
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(Dimethylamino)methyl]-5,5-diethyl-5,6-dihydrobenzo[h]quinazolin-4-ol
CID 135400164
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

Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The IUPAC name of 2-(diethylaminomethyl)-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one (CID 135516039) is 2-(diethylaminomethyl)-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one.
What is the SMILES notation for 2-(diethylaminomethyl)-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The canonical SMILES for 2-(diethylaminomethyl)-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one is CCN(CC)Cc1nc2c(c(=O)[nH]1)C(CC)(CC)Cc1ccccc1-2.
What is the InChIKey of 2-(diethylaminomethyl)-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The InChIKey is NSGYIRUDWOZKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-5-21(6-2)13-15-11-9-10-12-16(15)19-18(21)20(25)23-17(22-19)14-24(7-3)8-4/h9-12H,5-8,13-14H2,1-4H3,(H,22,23,25).
What are the key properties of 2-(diethylaminomethyl)-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one?
2-(diethylaminomethyl)-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one has a molecular weight of 339.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-5,5-diethyl-3,6-dihydrobenzo[h]quinazolin-4-one is sourced from PubChem (CID 135516039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).