quinoline-3-carbaldehyde;quinolin-3-ylmethanol

C20H16N2O2 — CID 87606996

IUPACquinoline-3-carbaldehyde;quinolin-3-ylmethanol
SMILESO=Cc1cnc2ccccc2c1.OCc1cnc2ccccc2c1
InChIInChI=1S/C10H9NO.C10H7NO/c2*12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-6,12H,7H2;1-7H
InChIKeyCWODTHHCPDYAGF-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.77
Rot. Bonds2

About quinoline-3-carbaldehyde;quinolin-3-ylmethanol

quinoline-3-carbaldehyde;quinolin-3-ylmethanol (PubChem CID 87606996) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is quinoline-3-carbaldehyde;quinolin-3-ylmethanol.

Molecular Properties

Compound Namequinoline-3-carbaldehyde;quinolin-3-ylmethanol
PubChem CID87606996
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Namequinoline-3-carbaldehyde;quinolin-3-ylmethanol
SMILESO=Cc1cnc2ccccc2c1.OCc1cnc2ccccc2c1
InChIInChI=1S/C10H9NO.C10H7NO/c2*12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-6,12H,7H2;1-7H
InChIKeyCWODTHHCPDYAGF-UHFFFAOYSA-N
XLogP3.77
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-quinolin-3-ylethanol
CID 53403774
N-(quinolin-3-ylmethyl)ethanamine
CID 16640553
2-aminoacetic acid;cyclohexanamine;quinoline-3-carbaldehyde
CID 23291769
ethane;(E)-3-quinolin-3-ylprop-2-en-1-ol
CID 142035517
3-ethyl-5-quinolin-3-ylbenzaldehyde
CID 144776788
(E)-3-quinolin-3-ylprop-2-enoate
CID 6986523
3-[(4-bromophenyl)methyl]quinoline
CID 67155836
quinolin-3-ylmethyl acetate
CID 101032812
N-[[(E)-2-quinolin-3-ylethenyl]amino]formamide
CID 20696184
3-(2-methylpropyl)quinoline
CID 12072851
3-[(Z)-2-naphthalen-2-ylethenyl]quinoline
CID 11300516
2-quinolin-3-ylethanamine;hydrochloride
CID 68724239

Frequently Asked Questions

What is the IUPAC name of quinoline-3-carbaldehyde;quinolin-3-ylmethanol?
The IUPAC name of quinoline-3-carbaldehyde;quinolin-3-ylmethanol (CID 87606996) is quinoline-3-carbaldehyde;quinolin-3-ylmethanol.
What is the SMILES notation for quinoline-3-carbaldehyde;quinolin-3-ylmethanol?
The canonical SMILES for quinoline-3-carbaldehyde;quinolin-3-ylmethanol is O=Cc1cnc2ccccc2c1.OCc1cnc2ccccc2c1.
What is the InChIKey of quinoline-3-carbaldehyde;quinolin-3-ylmethanol?
The InChIKey is CWODTHHCPDYAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.C10H7NO/c2*12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-6,12H,7H2;1-7H.
What are the key properties of quinoline-3-carbaldehyde;quinolin-3-ylmethanol?
quinoline-3-carbaldehyde;quinolin-3-ylmethanol has a molecular weight of 316.36 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline-3-carbaldehyde;quinolin-3-ylmethanol is sourced from PubChem (CID 87606996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).