4-(2-ethylimidazo[4,5-c]quinolin-1-yl)butanal

C16H17N3O — CID 86626643

IUPAC4-(2-ethylimidazo[4,5-c]quinolin-1-yl)butanal
SMILESCCc1nc2cnc3ccccc3c2n1CCCC=O
InChIInChI=1S/C16H17N3O/c1-2-15-18-14-11-17-13-8-4-3-7-12(13)16(14)19(15)9-5-6-10-20/h3-4,7-8,10-11H,2,5-6,9H2,1H3
InChIKeyXDJLACVWKIKNGP-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.13
Rot. Bonds5

About 4-(2-ethylimidazo[4,5-c]quinolin-1-yl)butanal

4-(2-ethylimidazo[4,5-c]quinolin-1-yl)butanal (PubChem CID 86626643) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(2-ethylimidazo[4,5-c]quinolin-1-yl)butanal.

Molecular Properties

Compound Name4-(2-ethylimidazo[4,5-c]quinolin-1-yl)butanal
PubChem CID86626643
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-(2-ethylimidazo[4,5-c]quinolin-1-yl)butanal
SMILESCCc1nc2cnc3ccccc3c2n1CCCC=O
InChIInChI=1S/C16H17N3O/c1-2-15-18-14-11-17-13-8-4-3-7-12(13)16(14)19(15)9-5-6-10-20/h3-4,7-8,10-11H,2,5-6,9H2,1H3
InChIKeyXDJLACVWKIKNGP-UHFFFAOYSA-N
XLogP3.13
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[7-(2-ethylimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-yl]-hydroxy-dimethylsilane
CID 164835966
1-(2-ethylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 19737315
4-(2-butylimidazo[4,5-c]quinolin-1-yl)butan-1-amine
CID 141029789
5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide
CID 57447092
2-ethyl-1-methoxyimidazo[4,5-c]quinoline
CID 67506760
1-pentylimidazo[4,5-c]quinolin-2-amine
CID 103964360
2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione
CID 54490153
ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate
CID 57447018
3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid
CID 67224202
5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide
CID 141135348
2-ethyl-1-[3-(4-methoxyphenyl)prop-2-ynyl]imidazo[4,5-c]quinoline
CID 69084239
tert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
CID 86668284

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylimidazo[4,5-c]quinolin-1-yl)butanal?
The IUPAC name of 4-(2-ethylimidazo[4,5-c]quinolin-1-yl)butanal (CID 86626643) is 4-(2-ethylimidazo[4,5-c]quinolin-1-yl)butanal.
What is the SMILES notation for 4-(2-ethylimidazo[4,5-c]quinolin-1-yl)butanal?
The canonical SMILES for 4-(2-ethylimidazo[4,5-c]quinolin-1-yl)butanal is CCc1nc2cnc3ccccc3c2n1CCCC=O.
What is the InChIKey of 4-(2-ethylimidazo[4,5-c]quinolin-1-yl)butanal?
The InChIKey is XDJLACVWKIKNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-15-18-14-11-17-13-8-4-3-7-12(13)16(14)19(15)9-5-6-10-20/h3-4,7-8,10-11H,2,5-6,9H2,1H3.
What are the key properties of 4-(2-ethylimidazo[4,5-c]quinolin-1-yl)butanal?
4-(2-ethylimidazo[4,5-c]quinolin-1-yl)butanal has a molecular weight of 267.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylimidazo[4,5-c]quinolin-1-yl)butanal is sourced from PubChem (CID 86626643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).