2-[2-(8-methoxyquinolin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline

C23H20N4O — CID 70648781

IUPAC2-[2-(8-methoxyquinolin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline
SMILESCOc1cccc2ccc(CCc3nc4c5ncccc5ccc4n3C)nc12
InChIInChI=1S/C23H20N4O/c1-27-18-12-9-16-6-4-14-24-22(16)23(18)26-20(27)13-11-17-10-8-15-5-3-7-19(28-2)21(15)25-17/h3-10,12,14H,11,13H2,1-2H3
InChIKeyHCMVRBZJYGOETB-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.46
Rot. Bonds4

About 2-[2-(8-methoxyquinolin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline

2-[2-(8-methoxyquinolin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline (PubChem CID 70648781) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[2-(8-methoxyquinolin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline.

Molecular Properties

Compound Name2-[2-(8-methoxyquinolin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline
PubChem CID70648781
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name2-[2-(8-methoxyquinolin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline
SMILESCOc1cccc2ccc(CCc3nc4c5ncccc5ccc4n3C)nc12
InChIInChI=1S/C23H20N4O/c1-27-18-12-9-16-6-4-14-24-22(16)23(18)26-20(27)13-11-17-10-8-15-5-3-7-19(28-2)21(15)25-17/h3-10,12,14H,11,13H2,1-2H3
InChIKeyHCMVRBZJYGOETB-UHFFFAOYSA-N
XLogP4.46
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(8-methoxyquinolin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline?
The IUPAC name of 2-[2-(8-methoxyquinolin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline (CID 70648781) is 2-[2-(8-methoxyquinolin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline.
What is the SMILES notation for 2-[2-(8-methoxyquinolin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline?
The canonical SMILES for 2-[2-(8-methoxyquinolin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline is COc1cccc2ccc(CCc3nc4c5ncccc5ccc4n3C)nc12.
What is the InChIKey of 2-[2-(8-methoxyquinolin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline?
The InChIKey is HCMVRBZJYGOETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-27-18-12-9-16-6-4-14-24-22(16)23(18)26-20(27)13-11-17-10-8-15-5-3-7-19(28-2)21(15)25-17/h3-10,12,14H,11,13H2,1-2H3.
What are the key properties of 2-[2-(8-methoxyquinolin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline?
2-[2-(8-methoxyquinolin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline has a molecular weight of 368.44 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8-methoxyquinolin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline is sourced from PubChem (CID 70648781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).