formaldehyde;bis(7-nitroquinoline)

C19H14N4O5 — CID 174420238

IUPACformaldehyde;bis(7-nitroquinoline)
SMILESC=O.O=[N+]([O-])c1ccc2cccnc2c1.O=[N+]([O-])c1ccc2cccnc2c1
InChIInChI=1S/2C9H6N2O2.CH2O/c2*12-11(13)8-4-3-7-2-1-5-10-9(7)6-8;1-2/h2*1-6H;1H2
InChIKeyQGARDTQFILCDDY-UHFFFAOYSA-N
MW378.34 g/mol
LogP4.10
Rot. Bonds2

About formaldehyde;bis(7-nitroquinoline)

formaldehyde;bis(7-nitroquinoline) (PubChem CID 174420238) has the molecular formula C19H14N4O5 and a molecular weight of 378.34 g/mol. Its IUPAC name is formaldehyde;bis(7-nitroquinoline).

Molecular Properties

Compound Nameformaldehyde;bis(7-nitroquinoline)
PubChem CID174420238
Molecular FormulaC19H14N4O5
Molecular Weight378.34 g/mol
Exact Mass378.10
IUPAC Nameformaldehyde;bis(7-nitroquinoline)
SMILESC=O.O=[N+]([O-])c1ccc2cccnc2c1.O=[N+]([O-])c1ccc2cccnc2c1
InChIInChI=1S/2C9H6N2O2.CH2O/c2*12-11(13)8-4-3-7-2-1-5-10-9(7)6-8;1-2/h2*1-6H;1H2
InChIKeyQGARDTQFILCDDY-UHFFFAOYSA-N
XLogP4.10
TPSA129.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
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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Related Compounds

ethane;6-nitroquinoxaline
CID 143926485
8-bromo-6-nitroquinoline;6-nitroquinoline
CID 159832810
5-methyl-7-nitroquinoline
CID 825902
ethene;formaldehyde;quinoline
CID 142226527
copper;bis(1,10-phenanthroline);dinitrate;hydrate
CID 15478309
quinolin-7-ol;sulfane
CID 174825329
6,8-dinitroquinoline
CID 11106850
6-[(5-nitro-2-pyridinyl)oxy]quinoline
CID 47082227
(2R)-2-(4-nitrophenyl)-3-quinolin-7-yliminoinden-1-one
CID 129377287
3-(3-nitrophenyl)-1-quinolin-2-yl-4,7-phenanthroline
CID 12986948
ethane;quinolin-7-ol
CID 143537862
nitric acid;1,7-phenanthroline
CID 175111698

Frequently Asked Questions

What is the IUPAC name of formaldehyde;bis(7-nitroquinoline)?
The IUPAC name of formaldehyde;bis(7-nitroquinoline) (CID 174420238) is formaldehyde;bis(7-nitroquinoline).
What is the SMILES notation for formaldehyde;bis(7-nitroquinoline)?
The canonical SMILES for formaldehyde;bis(7-nitroquinoline) is C=O.O=[N+]([O-])c1ccc2cccnc2c1.O=[N+]([O-])c1ccc2cccnc2c1.
What is the InChIKey of formaldehyde;bis(7-nitroquinoline)?
The InChIKey is QGARDTQFILCDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H6N2O2.CH2O/c2*12-11(13)8-4-3-7-2-1-5-10-9(7)6-8;1-2/h2*1-6H;1H2.
What are the key properties of formaldehyde;bis(7-nitroquinoline)?
formaldehyde;bis(7-nitroquinoline) has a molecular weight of 378.34 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;bis(7-nitroquinoline) is sourced from PubChem (CID 174420238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).