perchloric acid;7,8,9,10-tetrahydropyrido[1,2-a]quinazolin-11-ium

C12H14ClN2O4+ — CID 126958773

IUPACperchloric acid;7,8,9,10-tetrahydropyrido[1,2-a]quinazolin-11-ium
SMILES[O-][Cl+3]([O-])([O-])O.c1cc[n+]2c3c(cnc2c1)CCCC3
InChIInChI=1S/C12H13N2.ClHO4/c1-2-6-11-10(5-1)9-13-12-7-3-4-8-14(11)12;2-1(3,4)5/h3-4,7-9H,1-2,5-6H2;(H,2,3,4,5)/q+1;
InChIKeyQJANFHPEVPVZEN-UHFFFAOYSA-N
MW285.71 g/mol
LogP-2.42
Rot. Bonds

About perchloric acid;7,8,9,10-tetrahydropyrido[1,2-a]quinazolin-11-ium

perchloric acid;7,8,9,10-tetrahydropyrido[1,2-a]quinazolin-11-ium (PubChem CID 126958773) has the molecular formula C12H14ClN2O4+ and a molecular weight of 285.71 g/mol. Its IUPAC name is perchloric acid;7,8,9,10-tetrahydropyrido[1,2-a]quinazolin-11-ium.

Molecular Properties

Compound Nameperchloric acid;7,8,9,10-tetrahydropyrido[1,2-a]quinazolin-11-ium
PubChem CID126958773
Molecular FormulaC12H14ClN2O4+
Molecular Weight285.71 g/mol
Exact Mass285.06
IUPAC Nameperchloric acid;7,8,9,10-tetrahydropyrido[1,2-a]quinazolin-11-ium
SMILES[O-][Cl+3]([O-])([O-])O.c1cc[n+]2c3c(cnc2c1)CCCC3
InChIInChI=1S/C12H13N2.ClHO4/c1-2-6-11-10(5-1)9-13-12-7-3-4-8-14(11)12;2-1(3,4)5/h3-4,7-9H,1-2,5-6H2;(H,2,3,4,5)/q+1;
InChIKeyQJANFHPEVPVZEN-UHFFFAOYSA-N
XLogP-2.42
TPSA106.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.71
LogP ≤ 5-2.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of perchloric acid;7,8,9,10-tetrahydropyrido[1,2-a]quinazolin-11-ium?
The IUPAC name of perchloric acid;7,8,9,10-tetrahydropyrido[1,2-a]quinazolin-11-ium (CID 126958773) is perchloric acid;7,8,9,10-tetrahydropyrido[1,2-a]quinazolin-11-ium.
What is the SMILES notation for perchloric acid;7,8,9,10-tetrahydropyrido[1,2-a]quinazolin-11-ium?
The canonical SMILES for perchloric acid;7,8,9,10-tetrahydropyrido[1,2-a]quinazolin-11-ium is [O-][Cl+3]([O-])([O-])O.c1cc[n+]2c3c(cnc2c1)CCCC3.
What is the InChIKey of perchloric acid;7,8,9,10-tetrahydropyrido[1,2-a]quinazolin-11-ium?
The InChIKey is QJANFHPEVPVZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N2.ClHO4/c1-2-6-11-10(5-1)9-13-12-7-3-4-8-14(11)12;2-1(3,4)5/h3-4,7-9H,1-2,5-6H2;(H,2,3,4,5)/q+1;.
What are the key properties of perchloric acid;7,8,9,10-tetrahydropyrido[1,2-a]quinazolin-11-ium?
perchloric acid;7,8,9,10-tetrahydropyrido[1,2-a]quinazolin-11-ium has a molecular weight of 285.71 g/mol, XLogP of -2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for perchloric acid;7,8,9,10-tetrahydropyrido[1,2-a]quinazolin-11-ium is sourced from PubChem (CID 126958773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).