3-methyl-2-(2-pyrido[4,3-d]pyrimidin-2-ylethyl)imidazo[4,5-f]quinoline

C20H16N6 — CID 134484550

IUPAC3-methyl-2-(2-pyrido[4,3-d]pyrimidin-2-ylethyl)imidazo[4,5-f]quinoline
SMILESCn1c(CCc2ncc3cnccc3n2)nc2c3cccnc3ccc21
InChIInChI=1S/C20H16N6/c1-26-17-5-4-16-14(3-2-9-22-16)20(17)25-19(26)7-6-18-23-12-13-11-21-10-8-15(13)24-18/h2-5,8-12H,6-7H2,1H3
InChIKeyFWWLMKLRCYVQGE-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.24
Rot. Bonds3

About 3-methyl-2-(2-pyrido[4,3-d]pyrimidin-2-ylethyl)imidazo[4,5-f]quinoline

3-methyl-2-(2-pyrido[4,3-d]pyrimidin-2-ylethyl)imidazo[4,5-f]quinoline (PubChem CID 134484550) has the molecular formula C20H16N6 and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-methyl-2-(2-pyrido[4,3-d]pyrimidin-2-ylethyl)imidazo[4,5-f]quinoline.

Molecular Properties

Compound Name3-methyl-2-(2-pyrido[4,3-d]pyrimidin-2-ylethyl)imidazo[4,5-f]quinoline
PubChem CID134484550
Molecular FormulaC20H16N6
Molecular Weight340.39 g/mol
Exact Mass340.14
IUPAC Name3-methyl-2-(2-pyrido[4,3-d]pyrimidin-2-ylethyl)imidazo[4,5-f]quinoline
SMILESCn1c(CCc2ncc3cnccc3n2)nc2c3cccnc3ccc21
InChIInChI=1S/C20H16N6/c1-26-17-5-4-16-14(3-2-9-22-16)20(17)25-19(26)7-6-18-23-12-13-11-21-10-8-15(13)24-18/h2-5,8-12H,6-7H2,1H3
InChIKeyFWWLMKLRCYVQGE-UHFFFAOYSA-N
XLogP3.24
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-2-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]imidazo[4,5-f]quinoline
CID 121279070
2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]benzo[h]quinoline
CID 134243207
2-[2-(5,8-difluoroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline
CID 70098732
3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]imidazo[4,5-f]quinoline
CID 57415142
3-methylimidazo[4,5-f]quinoline-2-sulfonic acid
CID 10106806
3-methyl-2-[2-(4-methylquinazolin-2-yl)ethyl]-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole;3-methyl-2-[2-(4-methylquinazolin-2-yl)ethyl]imidazo[4,5-f]quinoline;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline;2-[2-(5-phenyl-3H-pyrrol-2-yl)ethenyl]quinazoline;2-[(E)-2-(5-phenyl-3H-pyrrol-2-yl)ethenyl]quinazoline;2-[2-(5-phenyl-3H-pyrrol-2-yl)ethyl]quinazoline
CID 159651503
2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylimidazo[4,5-f]quinoline
CID 57414377
4-methyl-1-(3-methylimidazo[4,5-f]quinolin-2-yl)-N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]hexan-3-imine
CID 134484425
6-ethyl-3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole
CID 123709118
2-[(2S)-1-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)propan-2-yl]-3-methylimidazo[4,5-f]quinoline
CID 126557215
2,7-phenanthroline;1,4-xylene
CID 67025193
5-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]quinoline
CID 79273482

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-pyrido[4,3-d]pyrimidin-2-ylethyl)imidazo[4,5-f]quinoline?
The IUPAC name of 3-methyl-2-(2-pyrido[4,3-d]pyrimidin-2-ylethyl)imidazo[4,5-f]quinoline (CID 134484550) is 3-methyl-2-(2-pyrido[4,3-d]pyrimidin-2-ylethyl)imidazo[4,5-f]quinoline.
What is the SMILES notation for 3-methyl-2-(2-pyrido[4,3-d]pyrimidin-2-ylethyl)imidazo[4,5-f]quinoline?
The canonical SMILES for 3-methyl-2-(2-pyrido[4,3-d]pyrimidin-2-ylethyl)imidazo[4,5-f]quinoline is Cn1c(CCc2ncc3cnccc3n2)nc2c3cccnc3ccc21.
What is the InChIKey of 3-methyl-2-(2-pyrido[4,3-d]pyrimidin-2-ylethyl)imidazo[4,5-f]quinoline?
The InChIKey is FWWLMKLRCYVQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6/c1-26-17-5-4-16-14(3-2-9-22-16)20(17)25-19(26)7-6-18-23-12-13-11-21-10-8-15(13)24-18/h2-5,8-12H,6-7H2,1H3.
What are the key properties of 3-methyl-2-(2-pyrido[4,3-d]pyrimidin-2-ylethyl)imidazo[4,5-f]quinoline?
3-methyl-2-(2-pyrido[4,3-d]pyrimidin-2-ylethyl)imidazo[4,5-f]quinoline has a molecular weight of 340.39 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-pyrido[4,3-d]pyrimidin-2-ylethyl)imidazo[4,5-f]quinoline is sourced from PubChem (CID 134484550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).