N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)acetamide

C18H19N3O2 — CID 657542

IUPACN-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)acetamide
SMILESCC(=O)Nn1cnc2c(c1=O)C1(CCCC1)Cc1ccccc1-2
InChIInChI=1S/C18H19N3O2/c1-12(22)20-21-11-19-16-14-7-3-2-6-13(14)10-18(8-4-5-9-18)15(16)17(21)23/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,20,22)
InChIKeyIUVQGIMVQBHNRD-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.37
Rot. Bonds1

About N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)acetamide

N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)acetamide (PubChem CID 657542) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)acetamide
PubChem CID657542
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)acetamide
SMILESCC(=O)Nn1cnc2c(c1=O)C1(CCCC1)Cc1ccccc1-2
InChIInChI=1S/C18H19N3O2/c1-12(22)20-21-11-19-16-14-7-3-2-6-13(14)10-18(8-4-5-9-18)15(16)17(21)23/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,20,22)
InChIKeyIUVQGIMVQBHNRD-UHFFFAOYSA-N
XLogP2.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-Diethyl-2-hydrazinyl-1,6-dihydrobenzo[h]quinazolin-4-one
CID 135496455
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
3-amino-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one
CID 757826
11-methyl-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(11H)-one
CID 911067
5-ethyl-5-methyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 135530212
N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)butanamide
CID 541227
2-[(diethylamino)methyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
CID 135410709
N-(4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-3-yl)acetamide
CID 910559
N-(4-oxo-5,6-dihydrospiro[benzo[h]quinazoline-5,1'-cyclohexane]-3(4H)-yl)propanamide
CID 2861821
Spiro[benzo[h]quinazoline-5(1H),1'-cyclopentan]-4(6H)-one
CID 135401890
2-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
CID 135449203

Frequently Asked Questions

What is the IUPAC name of N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)acetamide?
The IUPAC name of N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)acetamide (CID 657542) is N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)acetamide.
What is the SMILES notation for N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)acetamide?
The canonical SMILES for N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)acetamide is CC(=O)Nn1cnc2c(c1=O)C1(CCCC1)Cc1ccccc1-2.
What is the InChIKey of N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)acetamide?
The InChIKey is IUVQGIMVQBHNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12(22)20-21-11-19-16-14-7-3-2-6-13(14)10-18(8-4-5-9-18)15(16)17(21)23/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,20,22).
What are the key properties of N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)acetamide?
N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-3-yl)acetamide is sourced from PubChem (CID 657542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).