1-[4-chloro-2-(cyclopropyloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

C18H20ClN3O2 — CID 147313181

IUPAC1-[4-chloro-2-(cyclopropyloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1c(COC2CC2)nc2c(Cl)nc3ccccc3c21
InChIInChI=1S/C18H20ClN3O2/c1-18(2,23)10-22-14(9-24-11-7-8-11)21-15-16(22)12-5-3-4-6-13(12)20-17(15)19/h3-6,11,23H,7-10H2,1-2H3
InChIKeyCYJFGKBHONSNQO-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.69
Rot. Bonds5

About 1-[4-chloro-2-(cyclopropyloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

1-[4-chloro-2-(cyclopropyloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol (PubChem CID 147313181) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-[4-chloro-2-(cyclopropyloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-chloro-2-(cyclopropyloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
PubChem CID147313181
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name1-[4-chloro-2-(cyclopropyloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1c(COC2CC2)nc2c(Cl)nc3ccccc3c21
InChIInChI=1S/C18H20ClN3O2/c1-18(2,23)10-22-14(9-24-11-7-8-11)21-15-16(22)12-5-3-4-6-13(12)20-17(15)19/h3-6,11,23H,7-10H2,1-2H3
InChIKeyCYJFGKBHONSNQO-UHFFFAOYSA-N
XLogP3.69
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

CID 159055337
CID 159055337
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
CID 76902470
1-[2-(ethoxymethyl)-4-(2-methylpropyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 163528617
1-[4-amino-2-(trifluoromethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 149195534
2-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-3-hydroxy-3H-isoindol-1-one
CID 146576808
1-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-3-methylurea
CID 11164204
(2S)-2-amino-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-4-methylpentanamide
CID 135228158
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;3,6-dimethyl-1,4-dioxane-2,5-dione;1,4-dioxane-2,5-dione;N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide
CID 159245643
O-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]hydroxylamine
CID 162361120
N-[3-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-oxopropyl]-2-(2-hydroxy-2-methylpropoxy)-2-methylpropanamide
CID 135228147
1-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]-3-cyclopentylurea
CID 118231808
1-(2-ethylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 19737315

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(cyclopropyloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-chloro-2-(cyclopropyloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol (CID 147313181) is 1-[4-chloro-2-(cyclopropyloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-chloro-2-(cyclopropyloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-chloro-2-(cyclopropyloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1c(COC2CC2)nc2c(Cl)nc3ccccc3c21.
What is the InChIKey of 1-[4-chloro-2-(cyclopropyloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The InChIKey is CYJFGKBHONSNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-18(2,23)10-22-14(9-24-11-7-8-11)21-15-16(22)12-5-3-4-6-13(12)20-17(15)19/h3-6,11,23H,7-10H2,1-2H3.
What are the key properties of 1-[4-chloro-2-(cyclopropyloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
1-[4-chloro-2-(cyclopropyloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol has a molecular weight of 345.83 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(cyclopropyloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 147313181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).