(7-oxo-6-quinolin-7-yl-4,6-diazaspiro[2.4]hept-4-en-5-yl)methylazanium

C15H15N4O+ — CID 169041883

IUPAC(7-oxo-6-quinolin-7-yl-4,6-diazaspiro[2.4]hept-4-en-5-yl)methylazanium
SMILES[NH3+]CC1=NC2(CC2)C(=O)N1c1ccc2cccnc2c1
InChIInChI=1S/C15H14N4O/c16-9-13-18-15(5-6-15)14(20)19(13)11-4-3-10-2-1-7-17-12(10)8-11/h1-4,7-8H,5-6,9,16H2/p+1
InChIKeyVNQJJPPOUAXFGE-UHFFFAOYSA-O
MW267.31 g/mol
LogP0.75
Rot. Bonds2

About (7-oxo-6-quinolin-7-yl-4,6-diazaspiro[2.4]hept-4-en-5-yl)methylazanium

(7-oxo-6-quinolin-7-yl-4,6-diazaspiro[2.4]hept-4-en-5-yl)methylazanium (PubChem CID 169041883) has the molecular formula C15H15N4O+ and a molecular weight of 267.31 g/mol. Its IUPAC name is (7-oxo-6-quinolin-7-yl-4,6-diazaspiro[2.4]hept-4-en-5-yl)methylazanium.

Molecular Properties

Compound Name(7-oxo-6-quinolin-7-yl-4,6-diazaspiro[2.4]hept-4-en-5-yl)methylazanium
PubChem CID169041883
Molecular FormulaC15H15N4O+
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name(7-oxo-6-quinolin-7-yl-4,6-diazaspiro[2.4]hept-4-en-5-yl)methylazanium
SMILES[NH3+]CC1=NC2(CC2)C(=O)N1c1ccc2cccnc2c1
InChIInChI=1S/C15H14N4O/c16-9-13-18-15(5-6-15)14(20)19(13)11-4-3-10-2-1-7-17-12(10)8-11/h1-4,7-8H,5-6,9,16H2/p+1
InChIKeyVNQJJPPOUAXFGE-UHFFFAOYSA-O
XLogP0.75
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-oxo-6-quinolin-7-yl-4,6-diazaspiro[2.4]hept-4-en-5-yl)methylazanium?
The IUPAC name of (7-oxo-6-quinolin-7-yl-4,6-diazaspiro[2.4]hept-4-en-5-yl)methylazanium (CID 169041883) is (7-oxo-6-quinolin-7-yl-4,6-diazaspiro[2.4]hept-4-en-5-yl)methylazanium.
What is the SMILES notation for (7-oxo-6-quinolin-7-yl-4,6-diazaspiro[2.4]hept-4-en-5-yl)methylazanium?
The canonical SMILES for (7-oxo-6-quinolin-7-yl-4,6-diazaspiro[2.4]hept-4-en-5-yl)methylazanium is [NH3+]CC1=NC2(CC2)C(=O)N1c1ccc2cccnc2c1.
What is the InChIKey of (7-oxo-6-quinolin-7-yl-4,6-diazaspiro[2.4]hept-4-en-5-yl)methylazanium?
The InChIKey is VNQJJPPOUAXFGE-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H14N4O/c16-9-13-18-15(5-6-15)14(20)19(13)11-4-3-10-2-1-7-17-12(10)8-11/h1-4,7-8H,5-6,9,16H2/p+1.
What are the key properties of (7-oxo-6-quinolin-7-yl-4,6-diazaspiro[2.4]hept-4-en-5-yl)methylazanium?
(7-oxo-6-quinolin-7-yl-4,6-diazaspiro[2.4]hept-4-en-5-yl)methylazanium has a molecular weight of 267.31 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-oxo-6-quinolin-7-yl-4,6-diazaspiro[2.4]hept-4-en-5-yl)methylazanium is sourced from PubChem (CID 169041883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).