N-[(3-amino-6-chloropyrazin-2-yl)methyl]-4-methyl-6-nitroquinolin-2-amine

C15H13ClN6O2 — CID 122194079

IUPACN-[(3-amino-6-chloropyrazin-2-yl)methyl]-4-methyl-6-nitroquinolin-2-amine
SMILESCc1cc(NCc2nc(Cl)cnc2N)nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H13ClN6O2/c1-8-4-14(18-6-12-15(17)19-7-13(16)20-12)21-11-3-2-9(22(23)24)5-10(8)11/h2-5,7H,6H2,1H3,(H2,17,19)(H,18,21)
InChIKeyUYVLDOBZMXRQQC-UHFFFAOYSA-N
MW344.76 g/mol
LogP3.09
Rot. Bonds4

About N-[(3-amino-6-chloropyrazin-2-yl)methyl]-4-methyl-6-nitroquinolin-2-amine

N-[(3-amino-6-chloropyrazin-2-yl)methyl]-4-methyl-6-nitroquinolin-2-amine (PubChem CID 122194079) has the molecular formula C15H13ClN6O2 and a molecular weight of 344.76 g/mol. Its IUPAC name is N-[(3-amino-6-chloropyrazin-2-yl)methyl]-4-methyl-6-nitroquinolin-2-amine.

Molecular Properties

Compound NameN-[(3-amino-6-chloropyrazin-2-yl)methyl]-4-methyl-6-nitroquinolin-2-amine
PubChem CID122194079
Molecular FormulaC15H13ClN6O2
Molecular Weight344.76 g/mol
Exact Mass344.08
IUPAC NameN-[(3-amino-6-chloropyrazin-2-yl)methyl]-4-methyl-6-nitroquinolin-2-amine
SMILESCc1cc(NCc2nc(Cl)cnc2N)nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H13ClN6O2/c1-8-4-14(18-6-12-15(17)19-7-13(16)20-12)21-11-3-2-9(22(23)24)5-10(8)11/h2-5,7H,6H2,1H3,(H2,17,19)(H,18,21)
InChIKeyUYVLDOBZMXRQQC-UHFFFAOYSA-N
XLogP3.09
TPSA119.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-6-chloropyrazin-2-yl)methyl]-4-methyl-6-nitroquinolin-2-amine?
The IUPAC name of N-[(3-amino-6-chloropyrazin-2-yl)methyl]-4-methyl-6-nitroquinolin-2-amine (CID 122194079) is N-[(3-amino-6-chloropyrazin-2-yl)methyl]-4-methyl-6-nitroquinolin-2-amine.
What is the SMILES notation for N-[(3-amino-6-chloropyrazin-2-yl)methyl]-4-methyl-6-nitroquinolin-2-amine?
The canonical SMILES for N-[(3-amino-6-chloropyrazin-2-yl)methyl]-4-methyl-6-nitroquinolin-2-amine is Cc1cc(NCc2nc(Cl)cnc2N)nc2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-[(3-amino-6-chloropyrazin-2-yl)methyl]-4-methyl-6-nitroquinolin-2-amine?
The InChIKey is UYVLDOBZMXRQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6O2/c1-8-4-14(18-6-12-15(17)19-7-13(16)20-12)21-11-3-2-9(22(23)24)5-10(8)11/h2-5,7H,6H2,1H3,(H2,17,19)(H,18,21).
What are the key properties of N-[(3-amino-6-chloropyrazin-2-yl)methyl]-4-methyl-6-nitroquinolin-2-amine?
N-[(3-amino-6-chloropyrazin-2-yl)methyl]-4-methyl-6-nitroquinolin-2-amine has a molecular weight of 344.76 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-6-chloropyrazin-2-yl)methyl]-4-methyl-6-nitroquinolin-2-amine is sourced from PubChem (CID 122194079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).