6-methyl-8-nitrosoquinazoline

C9H7N3O — CID 143018933

IUPAC6-methyl-8-nitrosoquinazoline
SMILESCc1cc(N=O)c2ncncc2c1
InChIInChI=1S/C9H7N3O/c1-6-2-7-4-10-5-11-9(7)8(3-6)12-13/h2-5H,1H3
InChIKeyRMRLPZGLMYCBHB-UHFFFAOYSA-N
MW173.17 g/mol
LogP2.34
Rot. Bonds1

About 6-methyl-8-nitrosoquinazoline

6-methyl-8-nitrosoquinazoline (PubChem CID 143018933) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 6-methyl-8-nitrosoquinazoline.

Molecular Properties

Compound Name6-methyl-8-nitrosoquinazoline
PubChem CID143018933
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name6-methyl-8-nitrosoquinazoline
SMILESCc1cc(N=O)c2ncncc2c1
InChIInChI=1S/C9H7N3O/c1-6-2-7-4-10-5-11-9(7)8(3-6)12-13/h2-5H,1H3
InChIKeyRMRLPZGLMYCBHB-UHFFFAOYSA-N
XLogP2.34
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-nitrosoquinazoline?
The IUPAC name of 6-methyl-8-nitrosoquinazoline (CID 143018933) is 6-methyl-8-nitrosoquinazoline.
What is the SMILES notation for 6-methyl-8-nitrosoquinazoline?
The canonical SMILES for 6-methyl-8-nitrosoquinazoline is Cc1cc(N=O)c2ncncc2c1.
What is the InChIKey of 6-methyl-8-nitrosoquinazoline?
The InChIKey is RMRLPZGLMYCBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c1-6-2-7-4-10-5-11-9(7)8(3-6)12-13/h2-5H,1H3.
What are the key properties of 6-methyl-8-nitrosoquinazoline?
6-methyl-8-nitrosoquinazoline has a molecular weight of 173.17 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-nitrosoquinazoline is sourced from PubChem (CID 143018933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).