3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

C17H19N3O — CID 757826

IUPAC3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
SMILESNn1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C17H19N3O/c18-20-11-19-15-13-7-3-2-6-12(13)10-17(14(15)16(20)21)8-4-1-5-9-17/h2-3,6-7,11H,1,4-5,8-10,18H2
InChIKeyILSAONGGBDPOMC-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.38
Rot. Bonds

About 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one (PubChem CID 757826) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
PubChem CID757826
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
SMILESNn1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C17H19N3O/c18-20-11-19-15-13-7-3-2-6-12(13)10-17(14(15)16(20)21)8-4-1-5-9-17/h2-3,6-7,11H,1,4-5,8-10,18H2
InChIKeyILSAONGGBDPOMC-UHFFFAOYSA-N
XLogP2.38
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
CID 799645
Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 2-(ethylthio)-3-methyl-
CID 690268
N-(4-oxo-3-spiro[6H-benzo[h]quinazoline-5,1''-cyclopentane]yl)butanamide
CID 657671
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
10,11,12,13-tetrahydro-5H-spiro[azepino[2,1-b]benzo[h]quinazoline-6,1'-cyclohexan]-7(9H)-one
CID 816863
2-methylsulfanyl-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
CID 1068691
N-(4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-3-yl)acetamide
CID 657542
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
3-ethyl-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
CID 719127

Frequently Asked Questions

What is the IUPAC name of 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The IUPAC name of 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one (CID 757826) is 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
What is the SMILES notation for 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The canonical SMILES for 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is Nn1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2.
What is the InChIKey of 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The InChIKey is ILSAONGGBDPOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-20-11-19-15-13-7-3-2-6-12(13)10-17(14(15)16(20)21)8-4-1-5-9-17/h2-3,6-7,11H,1,4-5,8-10,18H2.
What are the key properties of 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one has a molecular weight of 281.36 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is sourced from PubChem (CID 757826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).