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

C21H25N3O2 — CID 541227

IUPACN-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)butanamide
SMILESCCCC(=O)Nn1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C21H25N3O2/c1-2-8-17(25)23-24-14-22-19-16-10-5-4-9-15(16)13-21(18(19)20(24)26)11-6-3-7-12-21/h4-5,9-10,14H,2-3,6-8,11-13H2,1H3,(H,23,25)
InChIKeyFDCHQQRWMIFTBC-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.54
Rot. Bonds3

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

N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)butanamide (PubChem CID 541227) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)butanamide.

Molecular Properties

Compound NameN-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)butanamide
PubChem CID541227
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)butanamide
SMILESCCCC(=O)Nn1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C21H25N3O2/c1-2-8-17(25)23-24-14-22-19-16-10-5-4-9-15(16)13-21(18(19)20(24)26)11-6-3-7-12-21/h4-5,9-10,14H,2-3,6-8,11-13H2,1H3,(H,23,25)
InChIKeyFDCHQQRWMIFTBC-UHFFFAOYSA-N
XLogP3.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)butanamide?
The IUPAC name of N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)butanamide (CID 541227) is N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)butanamide.
What is the SMILES notation for N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)butanamide?
The canonical SMILES for N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)butanamide is CCCC(=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)butanamide?
The InChIKey is FDCHQQRWMIFTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-2-8-17(25)23-24-14-22-19-16-10-5-4-9-15(16)13-21(18(19)20(24)26)11-6-3-7-12-21/h4-5,9-10,14H,2-3,6-8,11-13H2,1H3,(H,23,25).
What are the key properties of N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)butanamide?
N-(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)butanamide has a molecular weight of 351.45 g/mol, XLogP of 3.54, 3 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)butanamide is sourced from PubChem (CID 541227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).