5,8-dimethyl-6H-pyrido[1,2-c]quinazolin-7-ium

C14H15N2+ — CID 21342916

IUPAC5,8-dimethyl-6H-pyrido[1,2-c]quinazolin-7-ium
SMILESCc1cccc2[n+]1CN(C)c1ccccc1-2
InChIInChI=1S/C14H15N2/c1-11-6-5-9-14-12-7-3-4-8-13(12)15(2)10-16(11)14/h3-9H,10H2,1-2H3/q+1
InChIKeyYPKZSIZZMMFYFA-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.36
Rot. Bonds

About 5,8-dimethyl-6H-pyrido[1,2-c]quinazolin-7-ium

5,8-dimethyl-6H-pyrido[1,2-c]quinazolin-7-ium (PubChem CID 21342916) has the molecular formula C14H15N2+ and a molecular weight of 211.29 g/mol. Its IUPAC name is 5,8-dimethyl-6H-pyrido[1,2-c]quinazolin-7-ium.

Molecular Properties

Compound Name5,8-dimethyl-6H-pyrido[1,2-c]quinazolin-7-ium
PubChem CID21342916
Molecular FormulaC14H15N2+
Molecular Weight211.29 g/mol
Exact Mass211.12
IUPAC Name5,8-dimethyl-6H-pyrido[1,2-c]quinazolin-7-ium
SMILESCc1cccc2[n+]1CN(C)c1ccccc1-2
InChIInChI=1S/C14H15N2/c1-11-6-5-9-14-12-7-3-4-8-13(12)15(2)10-16(11)14/h3-9H,10H2,1-2H3/q+1
InChIKeyYPKZSIZZMMFYFA-UHFFFAOYSA-N
XLogP2.36
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5,8-dimethyl-6H-pyrido[1,2-c]quinazolin-7-ium?
The IUPAC name of 5,8-dimethyl-6H-pyrido[1,2-c]quinazolin-7-ium (CID 21342916) is 5,8-dimethyl-6H-pyrido[1,2-c]quinazolin-7-ium.
What is the SMILES notation for 5,8-dimethyl-6H-pyrido[1,2-c]quinazolin-7-ium?
The canonical SMILES for 5,8-dimethyl-6H-pyrido[1,2-c]quinazolin-7-ium is Cc1cccc2[n+]1CN(C)c1ccccc1-2.
What is the InChIKey of 5,8-dimethyl-6H-pyrido[1,2-c]quinazolin-7-ium?
The InChIKey is YPKZSIZZMMFYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N2/c1-11-6-5-9-14-12-7-3-4-8-13(12)15(2)10-16(11)14/h3-9H,10H2,1-2H3/q+1.
What are the key properties of 5,8-dimethyl-6H-pyrido[1,2-c]quinazolin-7-ium?
5,8-dimethyl-6H-pyrido[1,2-c]quinazolin-7-ium has a molecular weight of 211.29 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-6H-pyrido[1,2-c]quinazolin-7-ium is sourced from PubChem (CID 21342916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).