7-heptoxyquinoline-3-carbaldehyde

C17H21NO2 — CID 23600236

IUPAC7-heptoxyquinoline-3-carbaldehyde
SMILESCCCCCCCOc1ccc2cc(C=O)cnc2c1
InChIInChI=1S/C17H21NO2/c1-2-3-4-5-6-9-20-16-8-7-15-10-14(13-19)12-18-17(15)11-16/h7-8,10-13H,2-6,9H2,1H3
InChIKeyGEVKFVAAESDMFO-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.40
Rot. Bonds8

About 7-heptoxyquinoline-3-carbaldehyde

7-heptoxyquinoline-3-carbaldehyde (PubChem CID 23600236) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 7-heptoxyquinoline-3-carbaldehyde.

Molecular Properties

Compound Name7-heptoxyquinoline-3-carbaldehyde
PubChem CID23600236
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name7-heptoxyquinoline-3-carbaldehyde
SMILESCCCCCCCOc1ccc2cc(C=O)cnc2c1
InChIInChI=1S/C17H21NO2/c1-2-3-4-5-6-9-20-16-8-7-15-10-14(13-19)12-18-17(15)11-16/h7-8,10-13H,2-6,9H2,1H3
InChIKeyGEVKFVAAESDMFO-UHFFFAOYSA-N
XLogP4.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(7-heptoxyquinolin-3-yl)ethanol
CID 67408949
1-(7-heptoxyquinolin-3-yl)ethanol
CID 67407596
2-(4-decoxyphenyl)pyrimidine-5-carbaldehyde
CID 139641868
4-icosoxybenzaldehyde
CID 23127488
3-hexoxyacridine
CID 141299786
3,5-didodecoxybenzaldehyde
CID 23127431
5-butoxypyridine-3-carbaldehyde
CID 89111461
4-(4-decoxyphenoxy)benzaldehyde
CID 22713263
ethanol;4-octadecoxybenzaldehyde
CID 158692714
4-hexoxy-2-hydroxybenzaldehyde
CID 13147236
3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 11094483
3-methyl-7-propoxyquinoline
CID 68611316

Frequently Asked Questions

What is the IUPAC name of 7-heptoxyquinoline-3-carbaldehyde?
The IUPAC name of 7-heptoxyquinoline-3-carbaldehyde (CID 23600236) is 7-heptoxyquinoline-3-carbaldehyde.
What is the SMILES notation for 7-heptoxyquinoline-3-carbaldehyde?
The canonical SMILES for 7-heptoxyquinoline-3-carbaldehyde is CCCCCCCOc1ccc2cc(C=O)cnc2c1.
What is the InChIKey of 7-heptoxyquinoline-3-carbaldehyde?
The InChIKey is GEVKFVAAESDMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-3-4-5-6-9-20-16-8-7-15-10-14(13-19)12-18-17(15)11-16/h7-8,10-13H,2-6,9H2,1H3.
What are the key properties of 7-heptoxyquinoline-3-carbaldehyde?
7-heptoxyquinoline-3-carbaldehyde has a molecular weight of 271.36 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-heptoxyquinoline-3-carbaldehyde is sourced from PubChem (CID 23600236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).