spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one

C16H16N2O — CID 135401890

IUPACspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
SMILESO=c1[nH]cnc2c1C1(CCCC1)Cc1ccccc1-2
InChIInChI=1S/C16H16N2O/c19-15-13-14(17-10-18-15)12-6-2-1-5-11(12)9-16(13)7-3-4-8-16/h1-2,5-6,10H,3-4,7-9H2,(H,17,18,19)
InChIKeyOPZOHNKLBQDGKC-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.80
Rot. Bonds

About spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one

spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one (PubChem CID 135401890) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one.

Molecular Properties

Compound Namespiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
PubChem CID135401890
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Namespiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
SMILESO=c1[nH]cnc2c1C1(CCCC1)Cc1ccccc1-2
InChIInChI=1S/C16H16N2O/c19-15-13-14(17-10-18-15)12-6-2-1-5-11(12)9-16(13)7-3-4-8-16/h1-2,5-6,10H,3-4,7-9H2,(H,17,18,19)
InChIKeyOPZOHNKLBQDGKC-UHFFFAOYSA-N
XLogP2.80
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(Dimethylamino)methyl]-5,5-diethyl-5,6-dihydrobenzo[h]quinazolin-4-ol
CID 135400164
10,11,12,13-tetrahydro-5H-spiro[azepino[2,1-b]benzo[h]quinazoline-6,1'-cyclopentan]-7(9H)-one
CID 656342
3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
CID 799645
N-(4-oxo-3-spiro[6H-benzo[h]quinazoline-5,1''-cyclopentane]yl)butanamide
CID 657671
2-((4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide
CID 661841
3-amino-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one
CID 757826
2-(Diethylaminomethyl)-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one
CID 135450618
2,5,5-Triethyl-5,6-dihydro-3H-benzo[h]quinazolin-4-one
CID 135516037
11-methyl-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(11H)-one
CID 911067
5-ethyl-2-((3-hydroxypropyl)amino)-3,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 3762102
2-Diethylaminomethyl-5,5-diethyl-5,6-dihydro-3H-benzo[h]quinazolin-4-one
CID 135516039
5-Ethyl-5-methyl-2-methylsulfanyl-1,6-dihydrobenzo[h]quinazolin-4-one
CID 135527645

Frequently Asked Questions

What is the IUPAC name of spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The IUPAC name of spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one (CID 135401890) is spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one.
What is the SMILES notation for spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The canonical SMILES for spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one is O=c1[nH]cnc2c1C1(CCCC1)Cc1ccccc1-2.
What is the InChIKey of spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one?
The InChIKey is OPZOHNKLBQDGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c19-15-13-14(17-10-18-15)12-6-2-1-5-11(12)9-16(13)7-3-4-8-16/h1-2,5-6,10H,3-4,7-9H2,(H,17,18,19).
What are the key properties of spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one?
spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one has a molecular weight of 252.32 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one is sourced from PubChem (CID 135401890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).