pyrido[3,4-g]quinazoline-2,10-diamine

C11H9N5 — CID 118988439

IUPACpyrido[3,4-g]quinazoline-2,10-diamine
SMILESNc1ncc2cc3cnccc3c(N)c2n1
InChIInChI=1S/C11H9N5/c12-9-8-1-2-14-4-6(8)3-7-5-15-11(13)16-10(7)9/h1-5H,12H2,(H2,13,15,16)
InChIKeyPQAQQDCVZZTPPJ-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.34
Rot. Bonds

About pyrido[3,4-g]quinazoline-2,10-diamine

pyrido[3,4-g]quinazoline-2,10-diamine (PubChem CID 118988439) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is pyrido[3,4-g]quinazoline-2,10-diamine.

Molecular Properties

Compound Namepyrido[3,4-g]quinazoline-2,10-diamine
PubChem CID118988439
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Namepyrido[3,4-g]quinazoline-2,10-diamine
SMILESNc1ncc2cc3cnccc3c(N)c2n1
InChIInChI=1S/C11H9N5/c12-9-8-1-2-14-4-6(8)3-7-5-15-11(13)16-10(7)9/h1-5H,12H2,(H2,13,15,16)
InChIKeyPQAQQDCVZZTPPJ-UHFFFAOYSA-N
XLogP1.34
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrido[3,4-g]quinazoline-2,10-diamine?
The IUPAC name of pyrido[3,4-g]quinazoline-2,10-diamine (CID 118988439) is pyrido[3,4-g]quinazoline-2,10-diamine.
What is the SMILES notation for pyrido[3,4-g]quinazoline-2,10-diamine?
The canonical SMILES for pyrido[3,4-g]quinazoline-2,10-diamine is Nc1ncc2cc3cnccc3c(N)c2n1.
What is the InChIKey of pyrido[3,4-g]quinazoline-2,10-diamine?
The InChIKey is PQAQQDCVZZTPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c12-9-8-1-2-14-4-6(8)3-7-5-15-11(13)16-10(7)9/h1-5H,12H2,(H2,13,15,16).
What are the key properties of pyrido[3,4-g]quinazoline-2,10-diamine?
pyrido[3,4-g]quinazoline-2,10-diamine has a molecular weight of 211.23 g/mol, XLogP of 1.34, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[3,4-g]quinazoline-2,10-diamine is sourced from PubChem (CID 118988439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).