2-[(3-fluoro-2-pyridinyl)methoxy]-4-(6-methylpyrazin-2-yl)-5,6,7,8-tetrahydroquinoline

C20H19FN4O — CID 118205314

IUPAC2-[(3-fluoro-2-pyridinyl)methoxy]-4-(6-methylpyrazin-2-yl)-5,6,7,8-tetrahydroquinoline
SMILESCc1cncc(-c2cc(OCc3ncccc3F)nc3c2CCCC3)n1
InChIInChI=1S/C20H19FN4O/c1-13-10-22-11-18(24-13)15-9-20(25-17-7-3-2-5-14(15)17)26-12-19-16(21)6-4-8-23-19/h4,6,8-11H,2-3,5,7,12H2,1H3
InChIKeyNVOTVOBVLQBYNP-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.84
Rot. Bonds4

About 2-[(3-fluoro-2-pyridinyl)methoxy]-4-(6-methylpyrazin-2-yl)-5,6,7,8-tetrahydroquinoline

2-[(3-fluoro-2-pyridinyl)methoxy]-4-(6-methylpyrazin-2-yl)-5,6,7,8-tetrahydroquinoline (PubChem CID 118205314) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-[(3-fluoro-2-pyridinyl)methoxy]-4-(6-methylpyrazin-2-yl)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-[(3-fluoro-2-pyridinyl)methoxy]-4-(6-methylpyrazin-2-yl)-5,6,7,8-tetrahydroquinoline
PubChem CID118205314
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name2-[(3-fluoro-2-pyridinyl)methoxy]-4-(6-methylpyrazin-2-yl)-5,6,7,8-tetrahydroquinoline
SMILESCc1cncc(-c2cc(OCc3ncccc3F)nc3c2CCCC3)n1
InChIInChI=1S/C20H19FN4O/c1-13-10-22-11-18(24-13)15-9-20(25-17-7-3-2-5-14(15)17)26-12-19-16(21)6-4-8-23-19/h4,6,8-11H,2-3,5,7,12H2,1H3
InChIKeyNVOTVOBVLQBYNP-UHFFFAOYSA-N
XLogP3.84
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2-pyridinyl)methoxy]-4-(6-methylpyrazin-2-yl)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-[(3-fluoro-2-pyridinyl)methoxy]-4-(6-methylpyrazin-2-yl)-5,6,7,8-tetrahydroquinoline (CID 118205314) is 2-[(3-fluoro-2-pyridinyl)methoxy]-4-(6-methylpyrazin-2-yl)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-[(3-fluoro-2-pyridinyl)methoxy]-4-(6-methylpyrazin-2-yl)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-[(3-fluoro-2-pyridinyl)methoxy]-4-(6-methylpyrazin-2-yl)-5,6,7,8-tetrahydroquinoline is Cc1cncc(-c2cc(OCc3ncccc3F)nc3c2CCCC3)n1.
What is the InChIKey of 2-[(3-fluoro-2-pyridinyl)methoxy]-4-(6-methylpyrazin-2-yl)-5,6,7,8-tetrahydroquinoline?
The InChIKey is NVOTVOBVLQBYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-13-10-22-11-18(24-13)15-9-20(25-17-7-3-2-5-14(15)17)26-12-19-16(21)6-4-8-23-19/h4,6,8-11H,2-3,5,7,12H2,1H3.
What are the key properties of 2-[(3-fluoro-2-pyridinyl)methoxy]-4-(6-methylpyrazin-2-yl)-5,6,7,8-tetrahydroquinoline?
2-[(3-fluoro-2-pyridinyl)methoxy]-4-(6-methylpyrazin-2-yl)-5,6,7,8-tetrahydroquinoline has a molecular weight of 350.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-pyridinyl)methoxy]-4-(6-methylpyrazin-2-yl)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 118205314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).