(8-methoxy-7-nitroquinolin-3-yl)methanol

C11H10N2O4 — CID 175831814

IUPAC(8-methoxy-7-nitroquinolin-3-yl)methanol
SMILESCOc1c([N+](=O)[O-])ccc2cc(CO)cnc12
InChIInChI=1S/C11H10N2O4/c1-17-11-9(13(15)16)3-2-8-4-7(6-14)5-12-10(8)11/h2-5,14H,6H2,1H3
InChIKeyUEJHWUGESLTWIY-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.64
Rot. Bonds3

About (8-methoxy-7-nitroquinolin-3-yl)methanol

(8-methoxy-7-nitroquinolin-3-yl)methanol (PubChem CID 175831814) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is (8-methoxy-7-nitroquinolin-3-yl)methanol.

Molecular Properties

Compound Name(8-methoxy-7-nitroquinolin-3-yl)methanol
PubChem CID175831814
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name(8-methoxy-7-nitroquinolin-3-yl)methanol
SMILESCOc1c([N+](=O)[O-])ccc2cc(CO)cnc12
InChIInChI=1S/C11H10N2O4/c1-17-11-9(13(15)16)3-2-8-4-7(6-14)5-12-10(8)11/h2-5,14H,6H2,1H3
InChIKeyUEJHWUGESLTWIY-UHFFFAOYSA-N
XLogP1.64
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (8-methoxy-7-nitroquinolin-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-2-nitronaphthalene
CID 10899709
8-chloro-3-(methoxymethyl)-5-nitroquinoline;8-chloro-3-(methoxymethyl)quinoline
CID 19957915
3-ethyl-8-nitroquinoline
CID 119082070
[6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol
CID 103201814
[6-(2-bromo-6-nitrophenoxy)-3-pyridinyl]methanol
CID 81499821
[4-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol
CID 110005212
[5-nitro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 118818553
2-methoxy-1,3,4-trinitrobenzene
CID 13213780
(4-nitro-3-pentoxyphenyl)methanol
CID 62115918
[4-(3-methoxy-3-methylbutoxy)-3-nitrophenyl]methanol
CID 103034156
[6-(difluoromethyl)-5-methoxy-4-nitro-2-pyridinyl]methanol
CID 118803393
tert-butyl 4-[(8-hydroxy-7-nitroquinolin-3-yl)methyl]piperazine-1-carboxylate
CID 166150226

Frequently Asked Questions

What is the IUPAC name of (8-methoxy-7-nitroquinolin-3-yl)methanol?
The IUPAC name of (8-methoxy-7-nitroquinolin-3-yl)methanol (CID 175831814) is (8-methoxy-7-nitroquinolin-3-yl)methanol.
What is the SMILES notation for (8-methoxy-7-nitroquinolin-3-yl)methanol?
The canonical SMILES for (8-methoxy-7-nitroquinolin-3-yl)methanol is COc1c([N+](=O)[O-])ccc2cc(CO)cnc12.
What is the InChIKey of (8-methoxy-7-nitroquinolin-3-yl)methanol?
The InChIKey is UEJHWUGESLTWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-17-11-9(13(15)16)3-2-8-4-7(6-14)5-12-10(8)11/h2-5,14H,6H2,1H3.
What are the key properties of (8-methoxy-7-nitroquinolin-3-yl)methanol?
(8-methoxy-7-nitroquinolin-3-yl)methanol has a molecular weight of 234.21 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxy-7-nitroquinolin-3-yl)methanol is sourced from PubChem (CID 175831814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).