N-methyl-7-nitroquinolin-8-amine

C10H9N3O2 — CID 131339088

IUPACN-methyl-7-nitroquinolin-8-amine
SMILESCNc1c([N+](=O)[O-])ccc2cccnc12
InChIInChI=1S/C10H9N3O2/c1-11-10-8(13(14)15)5-4-7-3-2-6-12-9(7)10/h2-6,11H,1H3
InChIKeySGVOBGGYCFZMIE-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.18
Rot. Bonds2

About N-methyl-7-nitroquinolin-8-amine

N-methyl-7-nitroquinolin-8-amine (PubChem CID 131339088) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is N-methyl-7-nitroquinolin-8-amine.

Molecular Properties

Compound NameN-methyl-7-nitroquinolin-8-amine
PubChem CID131339088
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC NameN-methyl-7-nitroquinolin-8-amine
SMILESCNc1c([N+](=O)[O-])ccc2cccnc12
InChIInChI=1S/C10H9N3O2/c1-11-10-8(13(14)15)5-4-7-3-2-6-12-9(7)10/h2-6,11H,1H3
InChIKeySGVOBGGYCFZMIE-UHFFFAOYSA-N
XLogP2.18
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

7-nitroquinolin-8-amine
CID 12663942
lead(2+);bis(1,10-phenanthroline);dinitrate
CID 139206065
copper;bis(1,10-phenanthroline);dinitrate;hydrate
CID 15478309
N-methyl-3-nitropyridin-2-amine
CID 556349
8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline
CID 61057607
3-nitro-2-(quinolin-8-ylamino)benzoic acid
CID 11001355
6,8-dinitroquinoline
CID 11106850
7-iodo-8-nitroquinoline
CID 133062974
N-(7-chloroquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide
CID 162590752
2-nitro-N-quinolin-8-ylnaphthalene-1-carboxamide
CID 134950470
N-methyl-2-nitro-N-quinolin-8-ylbenzenesulfonamide
CID 123578429
1-(8-nitroquinolin-6-yl)ethanone
CID 166162234

Frequently Asked Questions

What is the IUPAC name of N-methyl-7-nitroquinolin-8-amine?
The IUPAC name of N-methyl-7-nitroquinolin-8-amine (CID 131339088) is N-methyl-7-nitroquinolin-8-amine.
What is the SMILES notation for N-methyl-7-nitroquinolin-8-amine?
The canonical SMILES for N-methyl-7-nitroquinolin-8-amine is CNc1c([N+](=O)[O-])ccc2cccnc12.
What is the InChIKey of N-methyl-7-nitroquinolin-8-amine?
The InChIKey is SGVOBGGYCFZMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-11-10-8(13(14)15)5-4-7-3-2-6-12-9(7)10/h2-6,11H,1H3.
What are the key properties of N-methyl-7-nitroquinolin-8-amine?
N-methyl-7-nitroquinolin-8-amine has a molecular weight of 203.20 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-nitroquinolin-8-amine is sourced from PubChem (CID 131339088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).