2-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde

C16H15NO — CID 79739966

IUPAC2-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde
SMILESO=Cc1ccccc1C1CCCc2cccnc21
InChIInChI=1S/C16H15NO/c18-11-13-5-1-2-8-14(13)15-9-3-6-12-7-4-10-17-16(12)15/h1-2,4-5,7-8,10-11,15H,3,6,9H2
InChIKeyXMFAPERYWFLHOM-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.36
Rot. Bonds2

About 2-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde

2-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde (PubChem CID 79739966) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde
PubChem CID79739966
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde
SMILESO=Cc1ccccc1C1CCCc2cccnc21
InChIInChI=1S/C16H15NO/c18-11-13-5-1-2-8-14(13)15-9-3-6-12-7-4-10-17-16(12)15/h1-2,4-5,7-8,10-11,15H,3,6,9H2
InChIKeyXMFAPERYWFLHOM-UHFFFAOYSA-N
XLogP3.36
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.36
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

2-fluoro-5-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde
CID 79739656
3-(5,6,7,8-tetrahydroquinolin-8-yl)pyridin-4-amine
CID 79738679
2-fluoro-6-(5,6,7,8-tetrahydroquinolin-8-yl)aniline
CID 107602849
N-[[2-(5,6,7,8-tetrahydroquinolin-8-yl)phenyl]methyl]cyclopropanamine
CID 79723595
3-chloro-4-(5,6,7,8-tetrahydroquinolin-8-yl)aniline
CID 107615870
3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopent-2-en-1-one
CID 79737986
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-fluorobenzaldehyde
CID 79740689
2-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]acetaldehyde
CID 93476901
4-fluoro-2-(5,6,7,8-tetrahydroquinolin-8-yl)phenol
CID 83130051
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
[3-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-yl]methanamine
CID 106887512

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde?
The IUPAC name of 2-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde (CID 79739966) is 2-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde.
What is the SMILES notation for 2-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde?
The canonical SMILES for 2-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde is O=Cc1ccccc1C1CCCc2cccnc21.
What is the InChIKey of 2-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde?
The InChIKey is XMFAPERYWFLHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c18-11-13-5-1-2-8-14(13)15-9-3-6-12-7-4-10-17-16(12)15/h1-2,4-5,7-8,10-11,15H,3,6,9H2.
What are the key properties of 2-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde?
2-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde has a molecular weight of 237.30 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde is sourced from PubChem (CID 79739966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).