2-[(dimethylamino)methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one

C20H25N3O — CID 135449502

IUPAC2-[(dimethylamino)methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
SMILESCN(C)Cc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C20H25N3O/c1-23(2)13-16-21-18-15-9-5-4-8-14(15)12-20(10-6-3-7-11-20)17(18)19(24)22-16/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,21,22,24)
InChIKeyWZMANQMGHXGGLB-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.26
Rot. Bonds2

About 2-[(dimethylamino)methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one

2-[(dimethylamino)methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one (PubChem CID 135449502) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
PubChem CID135449502
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-[(dimethylamino)methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
SMILESCN(C)Cc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C20H25N3O/c1-23(2)13-16-21-18-15-9-5-4-8-14(15)12-20(10-6-3-7-11-20)17(18)19(24)22-16/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,21,22,24)
InChIKeyWZMANQMGHXGGLB-UHFFFAOYSA-N
XLogP3.26
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(dimethylamino)methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one with MolForge

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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
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-(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
2-Diethylaminomethyl-5,5-diethyl-5,6-dihydro-3H-benzo[h]quinazolin-4-one
CID 135516039
5-ethyl-5-methyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 135530212
N-(4-oxospiro[3,5,6-trihydrobenzo[h]quinazoline-5,1'-cyclohexane]-3-yl)butanam ide
CID 541227
10,11,12,13-tetrahydro-5H-spiro[azepino[2,1-b]benzo[h]quinazoline-6,1'-cyclohexan]-7(9H)-one
CID 816863

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The IUPAC name of 2-[(dimethylamino)methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one (CID 135449502) is 2-[(dimethylamino)methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The canonical SMILES for 2-[(dimethylamino)methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one is CN(C)Cc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2.
What is the InChIKey of 2-[(dimethylamino)methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The InChIKey is WZMANQMGHXGGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-23(2)13-16-21-18-15-9-5-4-8-14(15)12-20(10-6-3-7-11-20)17(18)19(24)22-16/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,21,22,24).
What are the key properties of 2-[(dimethylamino)methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one?
2-[(dimethylamino)methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one has a molecular weight of 323.44 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one is sourced from PubChem (CID 135449502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).