3-methyl-2-[2-(1,6-naphthyridin-2-yl)ethyl]imidazo[4,5-h]quinoline

C21H17N5 — CID 54755358

IUPAC3-methyl-2-[2-(1,6-naphthyridin-2-yl)ethyl]imidazo[4,5-h]quinoline
SMILESCn1c(CCc2ccc3cnccc3n2)nc2c3ncccc3ccc21
InChIInChI=1S/C21H17N5/c1-26-18-8-5-14-3-2-11-23-20(14)21(18)25-19(26)9-7-16-6-4-15-13-22-12-10-17(15)24-16/h2-6,8,10-13H,7,9H2,1H3
InChIKeyGYWUTHCQZYWJIQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.85
Rot. Bonds3

About 3-methyl-2-[2-(1,6-naphthyridin-2-yl)ethyl]imidazo[4,5-h]quinoline

3-methyl-2-[2-(1,6-naphthyridin-2-yl)ethyl]imidazo[4,5-h]quinoline (PubChem CID 54755358) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-methyl-2-[2-(1,6-naphthyridin-2-yl)ethyl]imidazo[4,5-h]quinoline.

Molecular Properties

Compound Name3-methyl-2-[2-(1,6-naphthyridin-2-yl)ethyl]imidazo[4,5-h]quinoline
PubChem CID54755358
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC Name3-methyl-2-[2-(1,6-naphthyridin-2-yl)ethyl]imidazo[4,5-h]quinoline
SMILESCn1c(CCc2ccc3cnccc3n2)nc2c3ncccc3ccc21
InChIInChI=1S/C21H17N5/c1-26-18-8-5-14-3-2-11-23-20(14)21(18)25-19(26)9-7-16-6-4-15-13-22-12-10-17(15)24-16/h2-6,8,10-13H,7,9H2,1H3
InChIKeyGYWUTHCQZYWJIQ-UHFFFAOYSA-N
XLogP3.85
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Imiquimod
CID 57469
Abemaciclib
CID 46220502
2-Amino-3-methylimidazo(4,5-f)quinoline
CID 53462
2-Amino-3,4-dimethylimidazo(4,5-f)quinoline
CID 62274
2-Amino-3,4,8-trimethylimidazo(4,5-f)quinoxaline
CID 104739
Toreforant
CID 23650961
Osi-906
CID 11640390
Miransertib
CID 53262401
Apto-253
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CR-4056
CID 24898732
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(1,6-naphthyridin-2-yl)ethyl]imidazo[4,5-h]quinoline?
The IUPAC name of 3-methyl-2-[2-(1,6-naphthyridin-2-yl)ethyl]imidazo[4,5-h]quinoline (CID 54755358) is 3-methyl-2-[2-(1,6-naphthyridin-2-yl)ethyl]imidazo[4,5-h]quinoline.
What is the SMILES notation for 3-methyl-2-[2-(1,6-naphthyridin-2-yl)ethyl]imidazo[4,5-h]quinoline?
The canonical SMILES for 3-methyl-2-[2-(1,6-naphthyridin-2-yl)ethyl]imidazo[4,5-h]quinoline is Cn1c(CCc2ccc3cnccc3n2)nc2c3ncccc3ccc21.
What is the InChIKey of 3-methyl-2-[2-(1,6-naphthyridin-2-yl)ethyl]imidazo[4,5-h]quinoline?
The InChIKey is GYWUTHCQZYWJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5/c1-26-18-8-5-14-3-2-11-23-20(14)21(18)25-19(26)9-7-16-6-4-15-13-22-12-10-17(15)24-16/h2-6,8,10-13H,7,9H2,1H3.
What are the key properties of 3-methyl-2-[2-(1,6-naphthyridin-2-yl)ethyl]imidazo[4,5-h]quinoline?
3-methyl-2-[2-(1,6-naphthyridin-2-yl)ethyl]imidazo[4,5-h]quinoline has a molecular weight of 339.40 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(1,6-naphthyridin-2-yl)ethyl]imidazo[4,5-h]quinoline is sourced from PubChem (CID 54755358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).