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

C25H26N2O — CID 564084

IUPAC2-benzyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
SMILESCn1c(Cc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C25H26N2O/c1-27-21(16-18-10-4-2-5-11-18)26-23-20-13-7-6-12-19(20)17-25(22(23)24(27)28)14-8-3-9-15-25/h2,4-7,10-13H,3,8-9,14-17H2,1H3
InChIKeyPGYAEHHHKZDNSE-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.80
Rot. Bonds2

About 2-benzyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

2-benzyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one (PubChem CID 564084) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-benzyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name2-benzyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
PubChem CID564084
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name2-benzyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
SMILESCn1c(Cc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C25H26N2O/c1-27-21(16-18-10-4-2-5-11-18)26-23-20-13-7-6-12-19(20)17-25(22(23)24(27)28)14-8-3-9-15-25/h2,4-7,10-13H,3,8-9,14-17H2,1H3
InChIKeyPGYAEHHHKZDNSE-UHFFFAOYSA-N
XLogP4.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The IUPAC name of 2-benzyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one (CID 564084) is 2-benzyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
What is the SMILES notation for 2-benzyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The canonical SMILES for 2-benzyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is Cn1c(Cc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2.
What is the InChIKey of 2-benzyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The InChIKey is PGYAEHHHKZDNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-27-21(16-18-10-4-2-5-11-18)26-23-20-13-7-6-12-19(20)17-25(22(23)24(27)28)14-8-3-9-15-25/h2,4-7,10-13H,3,8-9,14-17H2,1H3.
What are the key properties of 2-benzyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
2-benzyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one has a molecular weight of 370.50 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is sourced from PubChem (CID 564084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).