4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline

C21H21N3O — CID 118205251

IUPAC4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
SMILESCc1ncccc1-c1cc(OCc2ccccn2)nc2c1CCCC2
InChIInChI=1S/C21H21N3O/c1-15-17(9-6-12-22-15)19-13-21(24-20-10-3-2-8-18(19)20)25-14-16-7-4-5-11-23-16/h4-7,9,11-13H,2-3,8,10,14H2,1H3
InChIKeyCCNYNUNFGSUDIJ-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.30
Rot. Bonds4

About 4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline

4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline (PubChem CID 118205251) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
PubChem CID118205251
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline
SMILESCc1ncccc1-c1cc(OCc2ccccn2)nc2c1CCCC2
InChIInChI=1S/C21H21N3O/c1-15-17(9-6-12-22-15)19-13-21(24-20-10-3-2-8-18(19)20)25-14-16-7-4-5-11-23-16/h4-7,9,11-13H,2-3,8,10,14H2,1H3
InChIKeyCCNYNUNFGSUDIJ-UHFFFAOYSA-N
XLogP4.30
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline (CID 118205251) is 4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline is Cc1ncccc1-c1cc(OCc2ccccn2)nc2c1CCCC2.
What is the InChIKey of 4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
The InChIKey is CCNYNUNFGSUDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-17(9-6-12-22-15)19-13-21(24-20-10-3-2-8-18(19)20)25-14-16-7-4-5-11-23-16/h4-7,9,11-13H,2-3,8,10,14H2,1H3.
What are the key properties of 4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline?
4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline has a molecular weight of 331.42 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 118205251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).