(3R)-3-quinolin-7-ylbutanal

C13H13NO — CID 59922967

IUPAC(3R)-3-quinolin-7-ylbutanal
SMILESC[C@H](CC=O)c1ccc2cccnc2c1
InChIInChI=1S/C13H13NO/c1-10(6-8-15)12-5-4-11-3-2-7-14-13(11)9-12/h2-5,7-10H,6H2,1H3/t10-/m1/s1
InChIKeyPIQZLMWVAARIBA-SNVBAGLBSA-N
MW199.25 g/mol
LogP2.93
Rot. Bonds3

About (3R)-3-quinolin-7-ylbutanal

(3R)-3-quinolin-7-ylbutanal (PubChem CID 59922967) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is (3R)-3-quinolin-7-ylbutanal.

Molecular Properties

Compound Name(3R)-3-quinolin-7-ylbutanal
PubChem CID59922967
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name(3R)-3-quinolin-7-ylbutanal
SMILESC[C@H](CC=O)c1ccc2cccnc2c1
InChIInChI=1S/C13H13NO/c1-10(6-8-15)12-5-4-11-3-2-7-14-13(11)9-12/h2-5,7-10H,6H2,1H3/t10-/m1/s1
InChIKeyPIQZLMWVAARIBA-SNVBAGLBSA-N
XLogP2.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.93
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

7-[(Z)-5-iodohept-4-en-2-yl]quinoline
CID 22901309
7-(4-bromopentan-2-yl)quinoline
CID 81221961
N-ethyl-1-quinolin-7-ylethanamine
CID 81221005
2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine
CID 105021598
2-quinolin-7-ylacetaldehyde
CID 22630864
ethyl 3-methyl-2-quinolin-7-ylbutanoate
CID 81224996
2-(2-methylpropylamino)-1-quinolin-7-ylethanol
CID 81221212
(4-propan-2-ylphenyl)-quinolin-7-ylmethanamine
CID 81210653
N-ethyl-2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine
CID 105021408
2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine
CID 81231763
N-ethyl-3-quinolin-7-ylbutan-2-amine
CID 81224003
2,2-dimethyl-1-quinolin-7-ylpropan-1-amine
CID 81220535

Frequently Asked Questions

What is the IUPAC name of (3R)-3-quinolin-7-ylbutanal?
The IUPAC name of (3R)-3-quinolin-7-ylbutanal (CID 59922967) is (3R)-3-quinolin-7-ylbutanal.
What is the SMILES notation for (3R)-3-quinolin-7-ylbutanal?
The canonical SMILES for (3R)-3-quinolin-7-ylbutanal is C[C@H](CC=O)c1ccc2cccnc2c1.
What is the InChIKey of (3R)-3-quinolin-7-ylbutanal?
The InChIKey is PIQZLMWVAARIBA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H13NO/c1-10(6-8-15)12-5-4-11-3-2-7-14-13(11)9-12/h2-5,7-10H,6H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-quinolin-7-ylbutanal?
(3R)-3-quinolin-7-ylbutanal has a molecular weight of 199.25 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-quinolin-7-ylbutanal is sourced from PubChem (CID 59922967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).