6-methoxy-3-nitro-4-phenylquinoline

C16H12N2O3 — CID 139655167

IUPAC6-methoxy-3-nitro-4-phenylquinoline
SMILESCOc1ccc2ncc([N+](=O)[O-])c(-c3ccccc3)c2c1
InChIInChI=1S/C16H12N2O3/c1-21-12-7-8-14-13(9-12)16(11-5-3-2-4-6-11)15(10-17-14)18(19)20/h2-10H,1H3
InChIKeyWUJZEJBOIYVOQN-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.82
Rot. Bonds3

About 6-methoxy-3-nitro-4-phenylquinoline

6-methoxy-3-nitro-4-phenylquinoline (PubChem CID 139655167) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 6-methoxy-3-nitro-4-phenylquinoline.

Molecular Properties

Compound Name6-methoxy-3-nitro-4-phenylquinoline
PubChem CID139655167
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name6-methoxy-3-nitro-4-phenylquinoline
SMILESCOc1ccc2ncc([N+](=O)[O-])c(-c3ccccc3)c2c1
InChIInChI=1S/C16H12N2O3/c1-21-12-7-8-14-13(9-12)16(11-5-3-2-4-6-11)15(10-17-14)18(19)20/h2-10H,1H3
InChIKeyWUJZEJBOIYVOQN-UHFFFAOYSA-N
XLogP3.82
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.82
H-Bond Donors ≤ 50
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

6-methoxy-4-methyl-3-nitroquinoline
CID 612778
6-ethyl-3-nitro-4-phenylquinoline
CID 15035174
4-azido-6-methoxy-3-nitroquinoline
CID 169448058
4-methoxy-2-nitro-1-phenylbenzene
CID 11401937
4-chloro-6-ethoxy-3-nitroquinoline
CID 102614031
ethyl 2,2-difluoro-2-(6-methoxy-4-phenylquinolin-3-yl)acetate
CID 164677018
1-(6-methoxy-4-phenylquinolin-3-yl)octan-2-one
CID 147949604
3-iodo-6-nitro-4-phenylquinoline
CID 101498418
4-(2-chlorophenyl)-6-methyl-3-nitroquinoline
CID 15035197
4-(3-nitroquinolin-4-yl)oxyaniline
CID 103964824
6-methoxy-4-[(Z)-2-phenylethenyl]quinoline;2,4,6-trinitrophenol
CID 54610786
8-methoxy-3-(3-methoxyphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
CID 46251447

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-nitro-4-phenylquinoline?
The IUPAC name of 6-methoxy-3-nitro-4-phenylquinoline (CID 139655167) is 6-methoxy-3-nitro-4-phenylquinoline.
What is the SMILES notation for 6-methoxy-3-nitro-4-phenylquinoline?
The canonical SMILES for 6-methoxy-3-nitro-4-phenylquinoline is COc1ccc2ncc([N+](=O)[O-])c(-c3ccccc3)c2c1.
What is the InChIKey of 6-methoxy-3-nitro-4-phenylquinoline?
The InChIKey is WUJZEJBOIYVOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-21-12-7-8-14-13(9-12)16(11-5-3-2-4-6-11)15(10-17-14)18(19)20/h2-10H,1H3.
What are the key properties of 6-methoxy-3-nitro-4-phenylquinoline?
6-methoxy-3-nitro-4-phenylquinoline has a molecular weight of 280.28 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-nitro-4-phenylquinoline is sourced from PubChem (CID 139655167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).