8-methyl-6-(quinazolin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione

C19H17N5O2 — CID 142402610

IUPAC8-methyl-6-(quinazolin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione
SMILESCc1cc(Nc2ncnc3ccccc23)c(=O)n2c1C(=O)NC21CCC1
InChIInChI=1S/C19H17N5O2/c1-11-9-14(22-16-12-5-2-3-6-13(12)20-10-21-16)18(26)24-15(11)17(25)23-19(24)7-4-8-19/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,23,25)(H,20,21,22)
InChIKeyDXXYFWMGJCONPS-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.42
Rot. Bonds2

About 8-methyl-6-(quinazolin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione

8-methyl-6-(quinazolin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione (PubChem CID 142402610) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 8-methyl-6-(quinazolin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione.

Molecular Properties

Compound Name8-methyl-6-(quinazolin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione
PubChem CID142402610
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name8-methyl-6-(quinazolin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione
SMILESCc1cc(Nc2ncnc3ccccc23)c(=O)n2c1C(=O)NC21CCC1
InChIInChI=1S/C19H17N5O2/c1-11-9-14(22-16-12-5-2-3-6-13(12)20-10-21-16)18(26)24-15(11)17(25)23-19(24)7-4-8-19/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,23,25)(H,20,21,22)
InChIKeyDXXYFWMGJCONPS-UHFFFAOYSA-N
XLogP2.42
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-(quinazolin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione?
The IUPAC name of 8-methyl-6-(quinazolin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione (CID 142402610) is 8-methyl-6-(quinazolin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione.
What is the SMILES notation for 8-methyl-6-(quinazolin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione?
The canonical SMILES for 8-methyl-6-(quinazolin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione is Cc1cc(Nc2ncnc3ccccc23)c(=O)n2c1C(=O)NC21CCC1.
What is the InChIKey of 8-methyl-6-(quinazolin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione?
The InChIKey is DXXYFWMGJCONPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-11-9-14(22-16-12-5-2-3-6-13(12)20-10-21-16)18(26)24-15(11)17(25)23-19(24)7-4-8-19/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,23,25)(H,20,21,22).
What are the key properties of 8-methyl-6-(quinazolin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione?
8-methyl-6-(quinazolin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione has a molecular weight of 347.38 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-(quinazolin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione is sourced from PubChem (CID 142402610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).