quinoline-2-carbaldehyde;hydrate

C10H9NO2 — CID 158547927

IUPACquinoline-2-carbaldehyde;hydrate
SMILESO.O=Cc1ccc2ccccc2n1
InChIInChI=1S/C10H7NO.H2O/c12-7-9-6-5-8-3-1-2-4-10(8)11-9;/h1-7H;1H2
InChIKeyHPIYFEIEJVDTAV-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.22
Rot. Bonds1

About quinoline-2-carbaldehyde;hydrate

quinoline-2-carbaldehyde;hydrate (PubChem CID 158547927) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is quinoline-2-carbaldehyde;hydrate.

Molecular Properties

Compound Namequinoline-2-carbaldehyde;hydrate
PubChem CID158547927
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Namequinoline-2-carbaldehyde;hydrate
SMILESO.O=Cc1ccc2ccccc2n1
InChIInChI=1S/C10H7NO.H2O/c12-7-9-6-5-8-3-1-2-4-10(8)11-9;/h1-7H;1H2
InChIKeyHPIYFEIEJVDTAV-UHFFFAOYSA-N
XLogP1.22
TPSA61.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

benzo[f]quinoline-3-carbaldehyde
CID 102020467
(Z)-1-quinolin-2-yl-N-[(Z)-quinolin-2-ylmethylideneamino]methanimine
CID 6299697
1-quinolin-2-yl-N-[2-(quinolin-2-ylmethylideneamino)ethyl]methanimine
CID 68976214
N-phenyl-1-quinolin-2-ylmethanimine
CID 13120185
2-(2-chloroprop-1-enyl)quinoline
CID 173335992
N-cyclopentyl-1-quinolin-2-ylmethanimine
CID 142726970
2-[(E)-2-phenylethenyl]quinoline;sulfuric acid
CID 75366284
2-(cyclohexylidenemethyl)quinoline
CID 11481481
2-(4-pyridin-2-ylbuta-1,3-dienyl)quinoline
CID 91436844
methyl 3-quinolin-2-ylprop-2-enoate
CID 513392
(E)-2-phenyl-3-quinolin-2-ylprop-2-enenitrile
CID 170857761
3-bromo-1-quinolin-2-ylprop-1-en-2-ol
CID 168664823

Frequently Asked Questions

What is the IUPAC name of quinoline-2-carbaldehyde;hydrate?
The IUPAC name of quinoline-2-carbaldehyde;hydrate (CID 158547927) is quinoline-2-carbaldehyde;hydrate.
What is the SMILES notation for quinoline-2-carbaldehyde;hydrate?
The canonical SMILES for quinoline-2-carbaldehyde;hydrate is O.O=Cc1ccc2ccccc2n1.
What is the InChIKey of quinoline-2-carbaldehyde;hydrate?
The InChIKey is HPIYFEIEJVDTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO.H2O/c12-7-9-6-5-8-3-1-2-4-10(8)11-9;/h1-7H;1H2.
What are the key properties of quinoline-2-carbaldehyde;hydrate?
quinoline-2-carbaldehyde;hydrate has a molecular weight of 175.19 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline-2-carbaldehyde;hydrate is sourced from PubChem (CID 158547927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).