2-methyl-5-nitroquinolin-8-amine

C10H9N3O2 — CID 114289442

IUPAC2-methyl-5-nitroquinolin-8-amine
SMILESCc1ccc2c([N+](=O)[O-])ccc(N)c2n1
InChIInChI=1S/C10H9N3O2/c1-6-2-3-7-9(13(14)15)5-4-8(11)10(7)12-6/h2-5H,11H2,1H3
InChIKeyVEZUZSOJQRQYHH-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.03
Rot. Bonds1

About 2-methyl-5-nitroquinolin-8-amine

2-methyl-5-nitroquinolin-8-amine (PubChem CID 114289442) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-methyl-5-nitroquinolin-8-amine.

Molecular Properties

Compound Name2-methyl-5-nitroquinolin-8-amine
PubChem CID114289442
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name2-methyl-5-nitroquinolin-8-amine
SMILESCc1ccc2c([N+](=O)[O-])ccc(N)c2n1
InChIInChI=1S/C10H9N3O2/c1-6-2-3-7-9(13(14)15)5-4-8(11)10(7)12-6/h2-5H,11H2,1H3
InChIKeyVEZUZSOJQRQYHH-UHFFFAOYSA-N
XLogP2.03
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

4-amino-2-methyl-5-nitroquinolin-8-ol
CID 69366706
5,6-dichloro-2-methyl-8-nitroquinoline
CID 138490128
O-(6-methyl-3-nitro-2-pyridinyl)hydroxylamine
CID 81137851
2,4,8-trimethyl-7-nitroquinoline
CID 71342477
6-methyl-3-nitropyridin-2-amine;6-methylpyridin-2-amine
CID 158471946
6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 81138782
5-methyl-3-nitroselenopheno[3,2-b]pyridine
CID 23271138
2-(3-chlorobutan-2-yl)-6-methyl-3-nitropyridine
CID 81137320
2-(2-bromopropyl)-6-methyl-3-nitropyridine
CID 81137414
2-(7-iodo-2-methyl-5-nitroquinolin-8-yl)oxyacetonitrile
CID 71320040
amino-[2-methyl-5-nitro-8-(pyridin-2-ylamino)quinolin-7-yl]-oxoazanium
CID 23763738
N-methyl-3-(6-methyl-3-nitro-2-pyridinyl)butan-2-amine
CID 81137765

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-nitroquinolin-8-amine?
The IUPAC name of 2-methyl-5-nitroquinolin-8-amine (CID 114289442) is 2-methyl-5-nitroquinolin-8-amine.
What is the SMILES notation for 2-methyl-5-nitroquinolin-8-amine?
The canonical SMILES for 2-methyl-5-nitroquinolin-8-amine is Cc1ccc2c([N+](=O)[O-])ccc(N)c2n1.
What is the InChIKey of 2-methyl-5-nitroquinolin-8-amine?
The InChIKey is VEZUZSOJQRQYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-6-2-3-7-9(13(14)15)5-4-8(11)10(7)12-6/h2-5H,11H2,1H3.
What are the key properties of 2-methyl-5-nitroquinolin-8-amine?
2-methyl-5-nitroquinolin-8-amine has a molecular weight of 203.20 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-nitroquinolin-8-amine is sourced from PubChem (CID 114289442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).