4-(5,6-dimethylidene-3-phenylpyrazin-2-yl)quinoline

C21H15N3 — CID 123156148

IUPAC4-(5,6-dimethylidene-3-phenylpyrazin-2-yl)quinoline
SMILESC=c1nc(-c2ccccc2)c(-c2ccnc3ccccc23)nc1=C
InChIInChI=1S/C21H15N3/c1-14-15(2)24-21(20(23-14)16-8-4-3-5-9-16)18-12-13-22-19-11-7-6-10-17(18)19/h3-13H,1-2H2
InChIKeyPTTUEJFZINLSAT-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.18
Rot. Bonds2

About 4-(5,6-dimethylidene-3-phenylpyrazin-2-yl)quinoline

4-(5,6-dimethylidene-3-phenylpyrazin-2-yl)quinoline (PubChem CID 123156148) has the molecular formula C21H15N3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-(5,6-dimethylidene-3-phenylpyrazin-2-yl)quinoline.

Molecular Properties

Compound Name4-(5,6-dimethylidene-3-phenylpyrazin-2-yl)quinoline
PubChem CID123156148
Molecular FormulaC21H15N3
Molecular Weight309.37 g/mol
Exact Mass309.13
IUPAC Name4-(5,6-dimethylidene-3-phenylpyrazin-2-yl)quinoline
SMILESC=c1nc(-c2ccccc2)c(-c2ccnc3ccccc23)nc1=C
InChIInChI=1S/C21H15N3/c1-14-15(2)24-21(20(23-14)16-8-4-3-5-9-16)18-12-13-22-19-11-7-6-10-17(18)19/h3-13H,1-2H2
InChIKeyPTTUEJFZINLSAT-UHFFFAOYSA-N
XLogP3.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-naphthalen-2-ylquinoline
CID 14173372
4-[3-(2,3-diphenylphenyl)phenyl]quinoline
CID 175299153
cyclopenta[d][1]benzazepine
CID 90914140
4-(3-fluorophenyl)quinoline
CID 141309372
4-(3-methylphenyl)quinoline
CID 146587179
4-[3-(4,6-diphenylpyrimidin-2-yl)-5-quinolin-4-ylphenyl]quinoline
CID 118582443
4-pyrimidin-2-ylquinoline
CID 123157198
4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline
CID 71174827
4-[4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline
CID 4126931
2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)naphthalen-1-yl]quinoxaline
CID 164771476
[6-phenyl-2,3-di(quinolin-4-yl)phenyl]methanamine
CID 57121415
2,5-di(quinolin-4-yl)-1,3,4-oxadiazole
CID 143438590

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethylidene-3-phenylpyrazin-2-yl)quinoline?
The IUPAC name of 4-(5,6-dimethylidene-3-phenylpyrazin-2-yl)quinoline (CID 123156148) is 4-(5,6-dimethylidene-3-phenylpyrazin-2-yl)quinoline.
What is the SMILES notation for 4-(5,6-dimethylidene-3-phenylpyrazin-2-yl)quinoline?
The canonical SMILES for 4-(5,6-dimethylidene-3-phenylpyrazin-2-yl)quinoline is C=c1nc(-c2ccccc2)c(-c2ccnc3ccccc23)nc1=C.
What is the InChIKey of 4-(5,6-dimethylidene-3-phenylpyrazin-2-yl)quinoline?
The InChIKey is PTTUEJFZINLSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3/c1-14-15(2)24-21(20(23-14)16-8-4-3-5-9-16)18-12-13-22-19-11-7-6-10-17(18)19/h3-13H,1-2H2.
What are the key properties of 4-(5,6-dimethylidene-3-phenylpyrazin-2-yl)quinoline?
4-(5,6-dimethylidene-3-phenylpyrazin-2-yl)quinoline has a molecular weight of 309.37 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethylidene-3-phenylpyrazin-2-yl)quinoline is sourced from PubChem (CID 123156148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).