1'-benzyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one

C27H25N5O — CID 99803170

IUPAC1'-benzyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one
SMILESO=c1nc2n(nc1-c1ccccc1)C1(CCN(Cc3ccccc3)CC1)Nc1ccccc1-2
InChIInChI=1S/C27H25N5O/c33-26-24(21-11-5-2-6-12-21)30-32-25(28-26)22-13-7-8-14-23(22)29-27(32)15-17-31(18-16-27)19-20-9-3-1-4-10-20/h1-14,29H,15-19H2
InChIKeyNOPYTTRWPHUKRF-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.35
Rot. Bonds3

About 1'-benzyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one

1'-benzyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one (PubChem CID 99803170) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is 1'-benzyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-benzyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one
PubChem CID99803170
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC Name1'-benzyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one
SMILESO=c1nc2n(nc1-c1ccccc1)C1(CCN(Cc3ccccc3)CC1)Nc1ccccc1-2
InChIInChI=1S/C27H25N5O/c33-26-24(21-11-5-2-6-12-21)30-32-25(28-26)22-13-7-8-14-23(22)29-27(32)15-17-31(18-16-27)19-20-9-3-1-4-10-20/h1-14,29H,15-19H2
InChIKeyNOPYTTRWPHUKRF-UHFFFAOYSA-N
XLogP4.35
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one?
The IUPAC name of 1'-benzyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one (CID 99803170) is 1'-benzyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one.
What is the SMILES notation for 1'-benzyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one?
The canonical SMILES for 1'-benzyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one is O=c1nc2n(nc1-c1ccccc1)C1(CCN(Cc3ccccc3)CC1)Nc1ccccc1-2.
What is the InChIKey of 1'-benzyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one?
The InChIKey is NOPYTTRWPHUKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O/c33-26-24(21-11-5-2-6-12-21)30-32-25(28-26)22-13-7-8-14-23(22)29-27(32)15-17-31(18-16-27)19-20-9-3-1-4-10-20/h1-14,29H,15-19H2.
What are the key properties of 1'-benzyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one?
1'-benzyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one has a molecular weight of 435.53 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one is sourced from PubChem (CID 99803170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).