1,2,3,4-tetrahydroquinoline-6-carbaldehyde

C10H11NO — CID 19603342

IUPAC1,2,3,4-tetrahydroquinoline-6-carbaldehyde
SMILESO=Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C10H11NO/c12-7-8-3-4-10-9(6-8)2-1-5-11-10/h3-4,6-7,11H,1-2,5H2
InChIKeySCEYZPPOTANMMP-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.86
Rot. Bonds1

About 1,2,3,4-tetrahydroquinoline-6-carbaldehyde

1,2,3,4-tetrahydroquinoline-6-carbaldehyde (PubChem CID 19603342) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroquinoline-6-carbaldehyde.

Molecular Properties

Compound Name1,2,3,4-tetrahydroquinoline-6-carbaldehyde
PubChem CID19603342
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1,2,3,4-tetrahydroquinoline-6-carbaldehyde
SMILESO=Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C10H11NO/c12-7-8-3-4-10-9(6-8)2-1-5-11-10/h3-4,6-7,11H,1-2,5H2
InChIKeySCEYZPPOTANMMP-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-Julolidinylcarboxaldehyde
CID 98700
1-Methyl-1,2,3,4-tetrahydroquinoline-6-carbaldehyde
CID 2793014
4-Hydroxy-6-methylquinoline
CID 256080
4-(Piperidin-1-yl)benzaldehyde
CID 291354
3-acetyl-6-methyl-1H-quinolin-4-one
CID 3243839
2,3-dihydroquinolin-4(1H)-one
CID 117158
1,3,4,4a,9a,10-Hexahydroacridin-9(2H)-one
CID 659071
6-Methyl-2,3-dihydroquinolin-4(1H)-one
CID 2834189
3-Methyl-4-(pyrrolidin-1-yl)benzaldehyde
CID 3144104
Aldh1A3-IN-2
CID 7148635
3-(1-Benzylpiperidin-4-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 9975916
6-butyl-1H-quinolin-4-one
CID 43531999

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroquinoline-6-carbaldehyde?
The IUPAC name of 1,2,3,4-tetrahydroquinoline-6-carbaldehyde (CID 19603342) is 1,2,3,4-tetrahydroquinoline-6-carbaldehyde.
What is the SMILES notation for 1,2,3,4-tetrahydroquinoline-6-carbaldehyde?
The canonical SMILES for 1,2,3,4-tetrahydroquinoline-6-carbaldehyde is O=Cc1ccc2c(c1)CCCN2.
What is the InChIKey of 1,2,3,4-tetrahydroquinoline-6-carbaldehyde?
The InChIKey is SCEYZPPOTANMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c12-7-8-3-4-10-9(6-8)2-1-5-11-10/h3-4,6-7,11H,1-2,5H2.
What are the key properties of 1,2,3,4-tetrahydroquinoline-6-carbaldehyde?
1,2,3,4-tetrahydroquinoline-6-carbaldehyde has a molecular weight of 161.20 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroquinoline-6-carbaldehyde is sourced from PubChem (CID 19603342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).