7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine;hydroiodide

C12H17IN4 — CID 173403073

IUPAC7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine;hydroiodide
SMILESCN1C=CCC2=C3NC(N)=NC=C3CCC21.I
InChIInChI=1S/C12H16N4.HI/c1-16-6-2-3-9-10(16)5-4-8-7-14-12(13)15-11(8)9;/h2,6-7,10H,3-5H2,1H3,(H3,13,14,15);1H
InChIKeyLJJNRIBLONVCPJ-UHFFFAOYSA-N
MW344.20 g/mol
LogP1.67
Rot. Bonds

About 7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine;hydroiodide

7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine;hydroiodide (PubChem CID 173403073) has the molecular formula C12H17IN4 and a molecular weight of 344.20 g/mol. Its IUPAC name is 7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine;hydroiodide.

Molecular Properties

Compound Name7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine;hydroiodide
PubChem CID173403073
Molecular FormulaC12H17IN4
Molecular Weight344.20 g/mol
Exact Mass344.05
IUPAC Name7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine;hydroiodide
SMILESCN1C=CCC2=C3NC(N)=NC=C3CCC21.I
InChIInChI=1S/C12H16N4.HI/c1-16-6-2-3-9-10(16)5-4-8-7-14-12(13)15-11(8)9;/h2,6-7,10H,3-5H2,1H3,(H3,13,14,15);1H
InChIKeyLJJNRIBLONVCPJ-UHFFFAOYSA-N
XLogP1.67
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine;hydroiodide?
The IUPAC name of 7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine;hydroiodide (CID 173403073) is 7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine;hydroiodide.
What is the SMILES notation for 7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine;hydroiodide?
The canonical SMILES for 7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine;hydroiodide is CN1C=CCC2=C3NC(N)=NC=C3CCC21.I.
What is the InChIKey of 7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine;hydroiodide?
The InChIKey is LJJNRIBLONVCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4.HI/c1-16-6-2-3-9-10(16)5-4-8-7-14-12(13)15-11(8)9;/h2,6-7,10H,3-5H2,1H3,(H3,13,14,15);1H.
What are the key properties of 7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine;hydroiodide?
7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine;hydroiodide has a molecular weight of 344.20 g/mol, XLogP of 1.67, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine;hydroiodide is sourced from PubChem (CID 173403073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).