6-methoxy-3-nitro-7-phenylmethoxy-1H-quinolin-4-one

C17H14N2O5 — CID 141107411

IUPAC6-methoxy-3-nitro-7-phenylmethoxy-1H-quinolin-4-one
SMILESCOc1cc2c(=O)c([N+](=O)[O-])c[nH]c2cc1OCc1ccccc1
InChIInChI=1S/C17H14N2O5/c1-23-15-7-12-13(18-9-14(17(12)20)19(21)22)8-16(15)24-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,20)
InChIKeyTVYWNQVNZKFPJQ-UHFFFAOYSA-N
MW326.31 g/mol
LogP3.02
Rot. Bonds5

About 6-methoxy-3-nitro-7-phenylmethoxy-1H-quinolin-4-one

6-methoxy-3-nitro-7-phenylmethoxy-1H-quinolin-4-one (PubChem CID 141107411) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is 6-methoxy-3-nitro-7-phenylmethoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methoxy-3-nitro-7-phenylmethoxy-1H-quinolin-4-one
PubChem CID141107411
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Name6-methoxy-3-nitro-7-phenylmethoxy-1H-quinolin-4-one
SMILESCOc1cc2c(=O)c([N+](=O)[O-])c[nH]c2cc1OCc1ccccc1
InChIInChI=1S/C17H14N2O5/c1-23-15-7-12-13(18-9-14(17(12)20)19(21)22)8-16(15)24-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,20)
InChIKeyTVYWNQVNZKFPJQ-UHFFFAOYSA-N
XLogP3.02
TPSA94.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 53.02
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'}

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Related Compounds

7-(2-chloroethoxy)-6-methoxy-3-nitro-1H-quinolin-4-one
CID 164853282
5-methoxy-2-nitro-4-phenylmethoxybenzoyl chloride
CID 12506411
methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate
CID 22667033
4-[5-(4-formyl-5-nitro-2-phenylmethoxyphenoxy)pentoxy]-5-methoxy-2-nitrobenzaldehyde
CID 90421178
6-methoxy-7-phenylmethoxy-1H-3,1-benzoxazine-2,4-dione
CID 11185633
6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid
CID 118451648
5,6-bis(phenylmethoxy)-3-propyl-1H-indole
CID 134391777
5-nitro-2-phenylmethoxy-1H-pyridin-4-one
CID 146662488
N-benzyl-5-methoxy-2-nitro-4-phenylmethoxybenzamide
CID 139213694
5,13-dimethoxy-10-methyl-4,14-bis(phenylmethoxy)tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one
CID 135025053
5-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1348609
1-(5-methoxy-2-nitro-4-phenylmethoxybenzoyl)piperidin-4-one
CID 163738613

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-nitro-7-phenylmethoxy-1H-quinolin-4-one?
The IUPAC name of 6-methoxy-3-nitro-7-phenylmethoxy-1H-quinolin-4-one (CID 141107411) is 6-methoxy-3-nitro-7-phenylmethoxy-1H-quinolin-4-one.
What is the SMILES notation for 6-methoxy-3-nitro-7-phenylmethoxy-1H-quinolin-4-one?
The canonical SMILES for 6-methoxy-3-nitro-7-phenylmethoxy-1H-quinolin-4-one is COc1cc2c(=O)c([N+](=O)[O-])c[nH]c2cc1OCc1ccccc1.
What is the InChIKey of 6-methoxy-3-nitro-7-phenylmethoxy-1H-quinolin-4-one?
The InChIKey is TVYWNQVNZKFPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c1-23-15-7-12-13(18-9-14(17(12)20)19(21)22)8-16(15)24-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of 6-methoxy-3-nitro-7-phenylmethoxy-1H-quinolin-4-one?
6-methoxy-3-nitro-7-phenylmethoxy-1H-quinolin-4-one has a molecular weight of 326.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-nitro-7-phenylmethoxy-1H-quinolin-4-one is sourced from PubChem (CID 141107411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).