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

C19H21N3O2 — CID 910559

IUPACN-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)acetamide
SMILESCC(=O)Nn1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C19H21N3O2/c1-13(23)21-22-12-20-17-15-8-4-3-7-14(15)11-19(16(17)18(22)24)9-5-2-6-10-19/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,21,23)
InChIKeyTYWRGAYNTUIPJP-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.76
Rot. Bonds1

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

N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)acetamide (PubChem CID 910559) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)acetamide
PubChem CID910559
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)acetamide
SMILESCC(=O)Nn1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C19H21N3O2/c1-13(23)21-22-12-20-17-15-8-4-3-7-14(15)11-19(16(17)18(22)24)9-5-2-6-10-19/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,21,23)
InChIKeyTYWRGAYNTUIPJP-UHFFFAOYSA-N
XLogP2.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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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
2-(Diethylaminomethyl)-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one
CID 135450618
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-[(Dimethylamino)methyl]-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one
CID 135449502
3-allyl-2-(ethylamino)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
CID 46870291
N-(4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-3-yl)acetamide
CID 657542
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

Frequently Asked Questions

What is the IUPAC name of N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)acetamide?
The IUPAC name of N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)acetamide (CID 910559) is N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)acetamide.
What is the SMILES notation for N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)acetamide?
The canonical SMILES for N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)acetamide is CC(=O)Nn1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2.
What is the InChIKey of N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)acetamide?
The InChIKey is TYWRGAYNTUIPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13(23)21-22-12-20-17-15-8-4-3-7-14(15)11-19(16(17)18(22)24)9-5-2-6-10-19/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,21,23).
What are the key properties of N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)acetamide?
N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.76, 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'-cyclohexane]-3-yl)acetamide is sourced from PubChem (CID 910559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).