1-(4-fluorophenyl)-8-methylidene-7-phenylmethoxy-2-(quinolin-8-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazine

C32H28FN3O — CID 166726128

IUPAC1-(4-fluorophenyl)-8-methylidene-7-phenylmethoxy-2-(quinolin-8-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazine
SMILESC=C1C=C2C(c3ccc(F)cc3)N(Cc3cccc4cccnc34)CCN2C=C1OCc1ccccc1
InChIInChI=1S/C32H28FN3O/c1-23-19-29-32(26-12-14-28(33)15-13-26)36(20-27-10-5-9-25-11-6-16-34-31(25)27)18-17-35(29)21-30(23)37-22-24-7-3-2-4-8-24/h2-16,19,21,32H,1,17-18,20,22H2
InChIKeyKLYNQTFTRLTPBL-UHFFFAOYSA-N
MW489.59 g/mol
LogP6.74
Rot. Bonds6

About 1-(4-fluorophenyl)-8-methylidene-7-phenylmethoxy-2-(quinolin-8-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazine

1-(4-fluorophenyl)-8-methylidene-7-phenylmethoxy-2-(quinolin-8-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazine (PubChem CID 166726128) has the molecular formula C32H28FN3O and a molecular weight of 489.59 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-8-methylidene-7-phenylmethoxy-2-(quinolin-8-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-8-methylidene-7-phenylmethoxy-2-(quinolin-8-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazine
PubChem CID166726128
Molecular FormulaC32H28FN3O
Molecular Weight489.59 g/mol
Exact Mass489.22
IUPAC Name1-(4-fluorophenyl)-8-methylidene-7-phenylmethoxy-2-(quinolin-8-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazine
SMILESC=C1C=C2C(c3ccc(F)cc3)N(Cc3cccc4cccnc34)CCN2C=C1OCc1ccccc1
InChIInChI=1S/C32H28FN3O/c1-23-19-29-32(26-12-14-28(33)15-13-26)36(20-27-10-5-9-25-11-6-16-34-31(25)27)18-17-35(29)21-30(23)37-22-24-7-3-2-4-8-24/h2-16,19,21,32H,1,17-18,20,22H2
InChIKeyKLYNQTFTRLTPBL-UHFFFAOYSA-N
XLogP6.74
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.59
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-8-methylidene-7-phenylmethoxy-2-(quinolin-8-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazine?
The IUPAC name of 1-(4-fluorophenyl)-8-methylidene-7-phenylmethoxy-2-(quinolin-8-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazine (CID 166726128) is 1-(4-fluorophenyl)-8-methylidene-7-phenylmethoxy-2-(quinolin-8-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazine.
What is the SMILES notation for 1-(4-fluorophenyl)-8-methylidene-7-phenylmethoxy-2-(quinolin-8-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazine?
The canonical SMILES for 1-(4-fluorophenyl)-8-methylidene-7-phenylmethoxy-2-(quinolin-8-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazine is C=C1C=C2C(c3ccc(F)cc3)N(Cc3cccc4cccnc34)CCN2C=C1OCc1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-8-methylidene-7-phenylmethoxy-2-(quinolin-8-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazine?
The InChIKey is KLYNQTFTRLTPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28FN3O/c1-23-19-29-32(26-12-14-28(33)15-13-26)36(20-27-10-5-9-25-11-6-16-34-31(25)27)18-17-35(29)21-30(23)37-22-24-7-3-2-4-8-24/h2-16,19,21,32H,1,17-18,20,22H2.
What are the key properties of 1-(4-fluorophenyl)-8-methylidene-7-phenylmethoxy-2-(quinolin-8-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazine?
1-(4-fluorophenyl)-8-methylidene-7-phenylmethoxy-2-(quinolin-8-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazine has a molecular weight of 489.59 g/mol, XLogP of 6.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-8-methylidene-7-phenylmethoxy-2-(quinolin-8-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazine is sourced from PubChem (CID 166726128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).