(1-benzylimidazo[4,5-c]quinolin-4-yl) acetate

C19H15N3O2 — CID 10245275

IUPAC(1-benzylimidazo[4,5-c]quinolin-4-yl) acetate
SMILESCC(=O)Oc1nc2ccccc2c2c1ncn2Cc1ccccc1
InChIInChI=1S/C19H15N3O2/c1-13(23)24-19-17-18(15-9-5-6-10-16(15)21-19)22(12-20-17)11-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3
InChIKeyIVPKORMHJGMNJQ-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.56
Rot. Bonds3

About (1-benzylimidazo[4,5-c]quinolin-4-yl) acetate

(1-benzylimidazo[4,5-c]quinolin-4-yl) acetate (PubChem CID 10245275) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is (1-benzylimidazo[4,5-c]quinolin-4-yl) acetate.

Molecular Properties

Compound Name(1-benzylimidazo[4,5-c]quinolin-4-yl) acetate
PubChem CID10245275
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name(1-benzylimidazo[4,5-c]quinolin-4-yl) acetate
SMILESCC(=O)Oc1nc2ccccc2c2c1ncn2Cc1ccccc1
InChIInChI=1S/C19H15N3O2/c1-13(23)24-19-17-18(15-9-5-6-10-16(15)21-19)22(12-20-17)11-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3
InChIKeyIVPKORMHJGMNJQ-UHFFFAOYSA-N
XLogP3.56
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-benzylimidazo[4,5-c]quinolin-4-yl) acetate?
The IUPAC name of (1-benzylimidazo[4,5-c]quinolin-4-yl) acetate (CID 10245275) is (1-benzylimidazo[4,5-c]quinolin-4-yl) acetate.
What is the SMILES notation for (1-benzylimidazo[4,5-c]quinolin-4-yl) acetate?
The canonical SMILES for (1-benzylimidazo[4,5-c]quinolin-4-yl) acetate is CC(=O)Oc1nc2ccccc2c2c1ncn2Cc1ccccc1.
What is the InChIKey of (1-benzylimidazo[4,5-c]quinolin-4-yl) acetate?
The InChIKey is IVPKORMHJGMNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-13(23)24-19-17-18(15-9-5-6-10-16(15)21-19)22(12-20-17)11-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3.
What are the key properties of (1-benzylimidazo[4,5-c]quinolin-4-yl) acetate?
(1-benzylimidazo[4,5-c]quinolin-4-yl) acetate has a molecular weight of 317.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylimidazo[4,5-c]quinolin-4-yl) acetate is sourced from PubChem (CID 10245275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).