3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid

C18H22N4O3 — CID 67224202

IUPAC3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid
SMILESCCCOCc1nc2cnc3ccccc3c2n1CCCNC(=O)O
InChIInChI=1S/C18H22N4O3/c1-2-10-25-12-16-21-15-11-20-14-7-4-3-6-13(14)17(15)22(16)9-5-8-19-18(23)24/h3-4,6-7,11,19H,2,5,8-10,12H2,1H3,(H,23,24)
InChIKeyBTNAJVIOFKFGDC-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.17
Rot. Bonds8

About 3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid

3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid (PubChem CID 67224202) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid.

Molecular Properties

Compound Name3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid
PubChem CID67224202
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid
SMILESCCCOCc1nc2cnc3ccccc3c2n1CCCNC(=O)O
InChIInChI=1S/C18H22N4O3/c1-2-10-25-12-16-21-15-11-20-14-7-4-3-6-13(14)17(15)22(16)9-5-8-19-18(23)24/h3-4,6-7,11,19H,2,5,8-10,12H2,1H3,(H,23,24)
InChIKeyBTNAJVIOFKFGDC-UHFFFAOYSA-N
XLogP3.17
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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]pentanamide
CID 57447092
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
2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline
CID 22254436
ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate
CID 57447018
5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide
CID 141135348
4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-N-(4-methoxyphenyl)butane-1-sulfonamide
CID 68999938
4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butylcarbamic acid
CID 68822265
2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid
CID 146308241
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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid?
The IUPAC name of 3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid (CID 67224202) is 3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid.
What is the SMILES notation for 3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid?
The canonical SMILES for 3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid is CCCOCc1nc2cnc3ccccc3c2n1CCCNC(=O)O.
What is the InChIKey of 3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid?
The InChIKey is BTNAJVIOFKFGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-2-10-25-12-16-21-15-11-20-14-7-4-3-6-13(14)17(15)22(16)9-5-8-19-18(23)24/h3-4,6-7,11,19H,2,5,8-10,12H2,1H3,(H,23,24).
What are the key properties of 3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid?
3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid has a molecular weight of 342.40 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid is sourced from PubChem (CID 67224202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).