(2-ethyl-6-methyl-8-nitroquinazolin-4-yl)hydrazine

C11H13N5O2 — CID 106584258

IUPAC(2-ethyl-6-methyl-8-nitroquinazolin-4-yl)hydrazine
SMILESCCc1nc(NN)c2cc(C)cc([N+](=O)[O-])c2n1
InChIInChI=1S/C11H13N5O2/c1-3-9-13-10-7(11(14-9)15-12)4-6(2)5-8(10)16(17)18/h4-5H,3,12H2,1-2H3,(H,13,14,15)
InChIKeyFKQIZQYZYUSPDP-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.69
Rot. Bonds3

About (2-ethyl-6-methyl-8-nitroquinazolin-4-yl)hydrazine

(2-ethyl-6-methyl-8-nitroquinazolin-4-yl)hydrazine (PubChem CID 106584258) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is (2-ethyl-6-methyl-8-nitroquinazolin-4-yl)hydrazine.

Molecular Properties

Compound Name(2-ethyl-6-methyl-8-nitroquinazolin-4-yl)hydrazine
PubChem CID106584258
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name(2-ethyl-6-methyl-8-nitroquinazolin-4-yl)hydrazine
SMILESCCc1nc(NN)c2cc(C)cc([N+](=O)[O-])c2n1
InChIInChI=1S/C11H13N5O2/c1-3-9-13-10-7(11(14-9)15-12)4-6(2)5-8(10)16(17)18/h4-5H,3,12H2,1-2H3,(H,13,14,15)
InChIKeyFKQIZQYZYUSPDP-UHFFFAOYSA-N
XLogP1.69
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2,6-dimethyl-8-nitroquinazolin-4-yl)hydrazine
CID 106584254
4-bromo-2-cyclopropyl-6-methyl-8-nitroquinazoline
CID 106584267
6-methyl-4-nitro-1,3-benzothiazol-2-amine
CID 3147230
[6-(5-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80938296
[2-ethyl-6-(2-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 80939777
4-chloro-6-methyl-8-nitroquinoline
CID 19592802
[4-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62465352
4-chloro-2-ethyl-6-(4-methyl-2-nitrophenoxy)pyrimidine
CID 80944763
[6-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 79231223
1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine
CID 66279624
4-chloro-2-ethyl-5-methyl-6-(4-methyl-2-nitrophenoxy)pyrimidine
CID 80974397
5-(4-methyl-2,6-dinitrophenyl)pentan-1-amine
CID 147431083

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-6-methyl-8-nitroquinazolin-4-yl)hydrazine?
The IUPAC name of (2-ethyl-6-methyl-8-nitroquinazolin-4-yl)hydrazine (CID 106584258) is (2-ethyl-6-methyl-8-nitroquinazolin-4-yl)hydrazine.
What is the SMILES notation for (2-ethyl-6-methyl-8-nitroquinazolin-4-yl)hydrazine?
The canonical SMILES for (2-ethyl-6-methyl-8-nitroquinazolin-4-yl)hydrazine is CCc1nc(NN)c2cc(C)cc([N+](=O)[O-])c2n1.
What is the InChIKey of (2-ethyl-6-methyl-8-nitroquinazolin-4-yl)hydrazine?
The InChIKey is FKQIZQYZYUSPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-3-9-13-10-7(11(14-9)15-12)4-6(2)5-8(10)16(17)18/h4-5H,3,12H2,1-2H3,(H,13,14,15).
What are the key properties of (2-ethyl-6-methyl-8-nitroquinazolin-4-yl)hydrazine?
(2-ethyl-6-methyl-8-nitroquinazolin-4-yl)hydrazine has a molecular weight of 247.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-6-methyl-8-nitroquinazolin-4-yl)hydrazine is sourced from PubChem (CID 106584258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).