2-[2-(5,8-dimethyl-1,6-naphthyridin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline

C23H21N5 — CID 54755359

IUPAC2-[2-(5,8-dimethyl-1,6-naphthyridin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline
SMILESCc1ncc(C)c2nc(CCc3nc4c5ncccc5ccc4n3C)ccc12
InChIInChI=1S/C23H21N5/c1-14-13-25-15(2)18-9-7-17(26-21(14)18)8-11-20-27-23-19(28(20)3)10-6-16-5-4-12-24-22(16)23/h4-7,9-10,12-13H,8,11H2,1-3H3
InChIKeyHZZUBNLHGDMRQP-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.47
Rot. Bonds3

About 2-[2-(5,8-dimethyl-1,6-naphthyridin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline

2-[2-(5,8-dimethyl-1,6-naphthyridin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline (PubChem CID 54755359) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is 2-[2-(5,8-dimethyl-1,6-naphthyridin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline.

Molecular Properties

Compound Name2-[2-(5,8-dimethyl-1,6-naphthyridin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline
PubChem CID54755359
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC Name2-[2-(5,8-dimethyl-1,6-naphthyridin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline
SMILESCc1ncc(C)c2nc(CCc3nc4c5ncccc5ccc4n3C)ccc12
InChIInChI=1S/C23H21N5/c1-14-13-25-15(2)18-9-7-17(26-21(14)18)8-11-20-27-23-19(28(20)3)10-6-16-5-4-12-24-22(16)23/h4-7,9-10,12-13H,8,11H2,1-3H3
InChIKeyHZZUBNLHGDMRQP-UHFFFAOYSA-N
XLogP4.47
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,8-dimethyl-1,6-naphthyridin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline?
The IUPAC name of 2-[2-(5,8-dimethyl-1,6-naphthyridin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline (CID 54755359) is 2-[2-(5,8-dimethyl-1,6-naphthyridin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline.
What is the SMILES notation for 2-[2-(5,8-dimethyl-1,6-naphthyridin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline?
The canonical SMILES for 2-[2-(5,8-dimethyl-1,6-naphthyridin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline is Cc1ncc(C)c2nc(CCc3nc4c5ncccc5ccc4n3C)ccc12.
What is the InChIKey of 2-[2-(5,8-dimethyl-1,6-naphthyridin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline?
The InChIKey is HZZUBNLHGDMRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5/c1-14-13-25-15(2)18-9-7-17(26-21(14)18)8-11-20-27-23-19(28(20)3)10-6-16-5-4-12-24-22(16)23/h4-7,9-10,12-13H,8,11H2,1-3H3.
What are the key properties of 2-[2-(5,8-dimethyl-1,6-naphthyridin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline?
2-[2-(5,8-dimethyl-1,6-naphthyridin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline has a molecular weight of 367.46 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,8-dimethyl-1,6-naphthyridin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline is sourced from PubChem (CID 54755359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).