amino-[2-methyl-5-nitro-8-(pyridin-2-ylamino)quinolin-7-yl]-oxoazanium

C15H13N6O3+ — CID 23763738

IUPACamino-[2-methyl-5-nitro-8-(pyridin-2-ylamino)quinolin-7-yl]-oxoazanium
SMILESCc1ccc2c([N+](=O)[O-])cc([N+](N)=O)c(Nc3ccccn3)c2n1
InChIInChI=1S/C15H13N6O3/c1-9-5-6-10-11(21(23)24)8-12(20(16)22)15(14(10)18-9)19-13-4-2-3-7-17-13/h2-8H,1H3,(H2,16,22)(H,17,19)/q+1
InChIKeyKLVCCDJOBPAXNH-UHFFFAOYSA-N
MW325.31 g/mol
LogP2.87
Rot. Bonds4

About amino-[2-methyl-5-nitro-8-(pyridin-2-ylamino)quinolin-7-yl]-oxoazanium

amino-[2-methyl-5-nitro-8-(pyridin-2-ylamino)quinolin-7-yl]-oxoazanium (PubChem CID 23763738) has the molecular formula C15H13N6O3+ and a molecular weight of 325.31 g/mol. Its IUPAC name is amino-[2-methyl-5-nitro-8-(pyridin-2-ylamino)quinolin-7-yl]-oxoazanium.

Molecular Properties

Compound Nameamino-[2-methyl-5-nitro-8-(pyridin-2-ylamino)quinolin-7-yl]-oxoazanium
PubChem CID23763738
Molecular FormulaC15H13N6O3+
Molecular Weight325.31 g/mol
Exact Mass325.10
IUPAC Nameamino-[2-methyl-5-nitro-8-(pyridin-2-ylamino)quinolin-7-yl]-oxoazanium
SMILESCc1ccc2c([N+](=O)[O-])cc([N+](N)=O)c(Nc3ccccn3)c2n1
InChIInChI=1S/C15H13N6O3/c1-9-5-6-10-11(21(23)24)8-12(20(16)22)15(14(10)18-9)19-13-4-2-3-7-17-13/h2-8H,1H3,(H2,16,22)(H,17,19)/q+1
InChIKeyKLVCCDJOBPAXNH-UHFFFAOYSA-N
XLogP2.87
TPSA127.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 52.87
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': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-[2-methyl-5-nitro-8-(pyridin-2-ylamino)quinolin-7-yl]-oxoazanium?
The IUPAC name of amino-[2-methyl-5-nitro-8-(pyridin-2-ylamino)quinolin-7-yl]-oxoazanium (CID 23763738) is amino-[2-methyl-5-nitro-8-(pyridin-2-ylamino)quinolin-7-yl]-oxoazanium.
What is the SMILES notation for amino-[2-methyl-5-nitro-8-(pyridin-2-ylamino)quinolin-7-yl]-oxoazanium?
The canonical SMILES for amino-[2-methyl-5-nitro-8-(pyridin-2-ylamino)quinolin-7-yl]-oxoazanium is Cc1ccc2c([N+](=O)[O-])cc([N+](N)=O)c(Nc3ccccn3)c2n1.
What is the InChIKey of amino-[2-methyl-5-nitro-8-(pyridin-2-ylamino)quinolin-7-yl]-oxoazanium?
The InChIKey is KLVCCDJOBPAXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N6O3/c1-9-5-6-10-11(21(23)24)8-12(20(16)22)15(14(10)18-9)19-13-4-2-3-7-17-13/h2-8H,1H3,(H2,16,22)(H,17,19)/q+1.
What are the key properties of amino-[2-methyl-5-nitro-8-(pyridin-2-ylamino)quinolin-7-yl]-oxoazanium?
amino-[2-methyl-5-nitro-8-(pyridin-2-ylamino)quinolin-7-yl]-oxoazanium has a molecular weight of 325.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[2-methyl-5-nitro-8-(pyridin-2-ylamino)quinolin-7-yl]-oxoazanium is sourced from PubChem (CID 23763738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).