5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide

C18H22N4O2 — CID 57447092

IUPAC5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide
SMILESCCOCc1nc2cnc3ccccc3c2n1CCCCC(N)=O
InChIInChI=1S/C18H22N4O2/c1-2-24-12-17-21-15-11-20-14-8-4-3-7-13(14)18(15)22(17)10-6-5-9-16(19)23/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3,(H2,19,23)
InChIKeyBPNNWOMBORSNDJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.78
Rot. Bonds8

About 5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide

5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide (PubChem CID 57447092) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide.

Molecular Properties

Compound Name5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide
PubChem CID57447092
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide
SMILESCCOCc1nc2cnc3ccccc3c2n1CCCCC(N)=O
InChIInChI=1S/C18H22N4O2/c1-2-24-12-17-21-15-11-20-14-8-4-3-7-13(14)18(15)22(17)10-6-5-9-16(19)23/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3,(H2,19,23)
InChIKeyBPNNWOMBORSNDJ-UHFFFAOYSA-N
XLogP2.78
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate
CID 57447047
O-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl] ethanethioate
CID 91445036
2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione
CID 54490153
tert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
CID 86668284
5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide
CID 141135348
ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate
CID 57447018
2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinoline
CID 118146486
3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid
CID 67224202
4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-N-(4-methoxyphenyl)butane-1-sulfonamide
CID 68999938
tert-butyl N-[N'-[2-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 126651386
4-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butan-1-amine
CID 141108816
4-(2-butylimidazo[4,5-c]quinolin-1-yl)butan-1-amine
CID 141029789

Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide?
The IUPAC name of 5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide (CID 57447092) is 5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide.
What is the SMILES notation for 5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide?
The canonical SMILES for 5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide is CCOCc1nc2cnc3ccccc3c2n1CCCCC(N)=O.
What is the InChIKey of 5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide?
The InChIKey is BPNNWOMBORSNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-24-12-17-21-15-11-20-14-8-4-3-7-13(14)18(15)22(17)10-6-5-9-16(19)23/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3,(H2,19,23).
What are the key properties of 5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide?
5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide has a molecular weight of 326.40 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide is sourced from PubChem (CID 57447092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).